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ChemDiv in Publications and Patents

Anti-oral Squamous Cell Carcinoma Effects of a Potent TAZ Inhibitor AR-42

Lingyu Su; Si Wang; Ting Yuan; Xudong Xie; Xiaoming Fu; Ping Ji; Lei Zhong; Wenzhao Liu

PMC ID: PMC6930442 | DOI: 10.7150/jca.32436 |Journal: Journal of Cancer, 11(1) pp. 364-373 | Publisher: IvyspringInternational Publisher |Publication date: 2020-01-01

Originaldocument: PMC | Score: 16.650314 | Text size: 33910 | Find: similardocuments

In brief,HEK293-TAZ cells were seeded in 96-well plates, and treated with smallmolecules from ChemDivcompound library and an in-house focused libraryfor 24 h at 37 °C. ... reporter assay on HEK293-TAZ cells to screen TAZinhibitor in an in-house focused library and ChemDiv compoundlibrary, and found that the HDAC inhibitor AR-42 (Fig.

Identification of Plasmodium dipeptidyl aminopeptidase allostericinhibitors by high throughput screening

Mateo I. Sanchez; Laura E. deVries;ChristineLehmann;Jeong T. Lee; Kenny K. Ang; ChristopherWilson;Steven Chen; Michelle R.Arkin;Matthew Bogyo; Edgar Deu; Luzia HelenaCarvalho

PMC ID: PMC6919601 | DOI: 10.1371/journal.pone.0226270 |Journal: PLoS ONE, 14(1) | Publisher: PublicLibrary of Science | Publicationdate: 2019-12-18

Original document: PMC | Score: 13.996932 | Text size: 57294 | Find: similardocuments

is composedof 104,121 compounds and was assembled from numerous commercial vendors(ChemBridge,ChemDiv and SPECS), and the Celera Protease InhibitorCollection of 1,817 compounds, which is unique and

Discovery of Non-peptide Small Molecule Allosteric Modulators of theSrc-family Kinase, Hck

Heather R.Dorman;David Close; Bentley M.Wingert;Carlos J.Camacho;Paul A. Johnston; Thomas E.Smithgall

PMC ID: PMC6893557 | DOI: 10.3389/fchem.2019.00822 |Journal: Frontiers in Chemistry, 7(1) | Publisher: Frontiers Media S.A. |Publication date: 2019-11-28

Originaldocument: PMC | Score: 13.996932 | Text size: 48193 | Find: similardocuments

Screeninglibraries were purchased from ChemDiv (10,000 non-peptidepeptidomimetic library) and ChemBridge (50,000 compound diversity library).

Nanomolar-potency ‘co-potentiator’ therapy for cystic fibrosis caused bya defined subset of minimal function CFTR mutants

Puay-Wah Phuan; Joseph-AnthonyTan;Amber A. Rivera; Lorna Zlock; Dennis W.Nielson;Walter E.Finkbeiner;Peter M. Haggie; Alan S. Verkman

PMC ID: PMC6881293 | DOI: 10.1038/s41598-019-54158-2 |Journal: Scientific Reports, 9(1) | Publisher: NaturePublishing Group UK |Publication date: 2019-11-27

Originaldocument: PMC | Score: 14.2392435 | Text size: 45168 | Find: similar documents

Forscreening, 120,000 diverse drug-like synthetic compounds (ChemDiv Inc.,San Diego, CA) were tested. Other chemicals were purchased from Sigma unlessotherwise stated.

Discovery of holoenzyme-disrupting chemicals as substrate-selective CK2inhibitors

Irina Kufareva; Benoit Bestgen; Paul Brear; Renaud Prudent; BéatriceLaudet;VirginieMoucadel;MohamedEttaoussi;Celine F. Sautel; Isabelle Krimm; Matthias Engel; Odile Filhol; Marc Le Borgne; ThierryLomberget;Claude Cochet; Ruben Abagyan

PMC ID: PMC6828666 | DOI: 10.1038/s41598-019-52141-5 |Journal: Scientific Reports, 9(1) | Publisher: NaturePublishing Group UK |Publication date: 2019-11-04

Originaldocument: PMC | Score: 13.536236 | Text size: 82786 | Find: similardocuments

reagent gradeor better and were supplied by the following companies: Chembridge (San Diego,CA), ChemDiv(San Diego, CA), Enamine (Kiev, Ukraine),InterBioScreen (Moscow, Russia), LifeChemicals (Kiev,

Novel Hit Compounds as Putative Antifungals: The Case of Aspergillusfumigatus

Eftichia Kritsi; Minos-TimotheosMatsoukas;ConstantinosPotamitis;Anastasia Detsi; Marija Ivanov; Marina Sokovic; Panagiotis Zoumpoulakis;AthinaGeronikaki;Rino Ragno

PMC ID: PMC6864791 | DOI: 10.3390/molecules24213853 |Journal: Molecules, 24(1) | Publisher: MDPI | Publication date: 2019-10-25

Original document: PMC | Score: 14.363574 | Text size: 49217 | Find: similardocuments

Sample Availability:Samples of the compounds 1–2, 3–5 and 6–8 were purchased from ChemDiv,Mcule and eMolecules, respectively. Supplementary Materials The following areavailable online.

A Chemosensory GPCR as a Potential Target to Control the Root-KnotNematode Meloidogyne incognita Parasitism in Plants

Emmanuel Bresso; Diana Fernandez; Deisy X. Amora; Philippe Noel; Anne-SophiePetitot;Maria-EugêniaLisei de Sa;Erika V. S.Albuquerque;Etienne G. J.Danchin;Bernard Maigret; NatáliaF. Martins

PMC ID: PMC6832152 | DOI: 10.3390/molecules24203798 |Journal: Molecules, 24(1) | Publisher: MDPI | Publication date: 2019-10-22

Originaldocument: PMC | Score: 17.646307 | Text size: 62242 | Find: similardocuments

selectedmolecules allowed the identification of an active compound, namely C260-2124,from the ChemDivprovider, which can serve as a starting point forfurther investigations. ... From this list, it appeared that 85 compounds camefrom the ChemDiv provider’s library. ... the GPCR-centredlibraries encompassing six compounds providers: Asinex [73], Chembridge[74], ChemDiv [75], LifeChemicals [76], Otava [77] andSelleckchem [78], representing 112,951 molecules.

Design and Selection of Novel C1s Inhibitors by In Silico and In VitroApproaches

KatalinSzilágyi; IstvánHajdú; BeátaFlachner;ZsoltLőrincz; JúliaBalczer;PéterGál;PéterZávodszky; Chiara Pirli; BalázsBalogh;István M.Mándity;SándorCseh;GyörgyDormán

PMC ID: PMC6832932 | DOI: 10.3390/molecules24203641 |Journal: Molecules, 24(1) | Publisher: MDPI | Publication date: 2019-10-09

Originaldocument: PMC | Score: 16.44229 | Text size: 76556 | Find: similardocuments

removal ofthe duplicated structures resulted in 445,457 compounds (Enamine (71,311compounds), ChemDiv(258,797 compounds), Chembridge (60,052 compounds),Interbioscreen (31,255 compounds) and Life ... from the actual edition of thetop vendor databases (~5 million compounds): Asinex, ChemBridge, ChemDiv,Enamine, Interbioscreen, Life Chemicals, Specs, UkrOrg, etc.[21,22,23,24,25,26,27,28].

A Small-Molecule Pan-Id Antagonist Inhibits Pathologic OcularNeovascularization

Paulina M.Wojnarowicz;Raquel Lima eSilva;Masayuki Ohnaka; Sang Bae Lee; Yvette Chin; Anita Kulukian; Sung-Hee Chang; Bina Desai; Marta GarciaEscolano;Riddhi Shah; Marta Garcia-Cao; Sijia Xu; Rashmi Kadam; Yehuda Goldgur; Meredith A.Miller;OuathekOuerfelli;Guangli Yang;Tsutomu Arakawa; Steven K.Albanese;William A.Garland;Glenn Stoller; JaideepChaudhary;Larry Norton; Rajesh KumarSoni;John Philip; Ronald C.Hendrickson;Antonio Iavarone; Andrew J.Dannenberg;John D. Chodera; Nikola Pavletich; Anna Lasorella; Peter A.Campochiaro;Robert Benezra

PMC ID: PMC6896334 | DOI: 10.1016/j.celrep.2019.08.073 |Journal: Cell reports, 29(1) pp. 62-75.e7 |Publicationdate: 2019-10-01 | Print publication date: 2019-10-01

Originaldocument: PMC | Score: 13.104898 | Text size: 96574 | Find: similardocuments

Compiledlists of commercially available compounds (libraries available fromChemBridge, ChemDiv, Maybridge, and Salor) were screened using abeta release of Autodock 4.0 (The Scripps Research

Identification of Fatty Acid Binding Protein 5 Inhibitors Through Similarity-BasedScreening

Yuchen Zhou; Matthew W. Elmes; Joseph M.Sweeney;Olivia M. Joseph; Joyce Che; Hao-Chi Hsu; Huilin Li; Dale G. Deutsch; Iwao Ojima; Martin Kaczocha; Robert C. Rizzo

PMC ID: PMC6812325 | DOI: 10.1021/acs.biochem.9b00625 |ISSN: 0006-2960 | Journal: Biochemistry, 58(1) pp. 4304-4316 |Publisher:AmericanChemical Society | Publicationdate: 2019-09-20 | Print publication date: 2019-10-22

Originaldocument: PMC | Score: 14.2392435 | Text size: 67063 | Find: similardocuments

in thebinding site from different rank-ordered lists, 78 compounds were ultimatelypurchased (ChemDivvendor) for experimental testing.

Predictive Power of In Silico Approach to Evaluate Chemicals against M.tuberculosis: A Systematic Review

Giulia OliveiraTimo;Rodrigo SouzaSilva Valle dos Reis; AdrianaFrançozo de Melo; Thales VianaLabourdette Costa; Pérola deOliveira Magalhães;MauricioHomem-de-Mello

PMC ID: PMC6789803 | DOI: 10.3390/ph12030135 |Journal: Pharmaceuticals, 12(1) | Publisher: MDPI | Publication date: 2019-09-16

Original document: PMC | Score: 14.490094 | Text size: 58450 | Find: similardocuments

CollaborativeDrug Discovery Database [49,50]; Other (CDRI [60], FDA approved drugs[67], ChemDiv [6], ChemSpider [59], TAACF [16], GSK [16],Enamine REAL [61], NCI [21] and Specs [70]).

Leishmania mexicana Trypanothione Reductase Inhibitors: Computational andBiological Studies

Félix Matadamas-Martínez; AliciaHernández-Campos; AlfredoTéllez-Valencia; AlejandraVázquez-Raygoza; SandraComparán-Alarcón; LiliánYépez-Mulia; Rafael Castillo

PMC ID: PMC6767256 | DOI: 10.3390/molecules24183216 |Journal: Molecules, 24(1) | Publisher: MDPI | Publication date: 2019-09-04

Originaldocument: PMC | Score: 14.301138 | Text size: 52177 | Find: similardocuments

GeneralInformation Compounds ZINC04684558 and ZINC09642432 were purchased from ChemDiv (SanDiego, CA, USA), and compounds ZINC12151998, ZINC14970552, and ZINC11841871were purchased

Identification of Novel Antibacterials Using Machine Learning Techniques

Yan A. Ivanenkov; Alex Zhavoronkov; Renat S.Yamidanov;Ilya A. Osterman; Petr V. Sergiev; Vladimir A.Aladinskiy;Anastasia V.Aladinskaya;Victor A.Terentiev;Mark S. Veselov; Andrey A.Ayginin;Victor G.Kartsev;Dmitry A.Skvortsov;Alexey V.Chemeris;Alexey Kh.Baimiev;Alina A.Sofronova;Alexander S.Malyshev;Gleb I. Filkov; Dmitry S.Bezrukov;Bogdan A.Zagribelnyy;Evgeny O. Putin; Maria M.Puchinina;Olga A. Dontsova

PMC ID: PMC6719509 | DOI: 10.3389/fphar.2019.00913 |Journal: Frontiers in Pharmacology, 10(1) | Publisher: Frontiers Media S.A. |Publication date: 2019-08-27

Originaldocument: PMC | Score: 17.583435 | Text size: 67557 | Find: similardocuments

In general,we used two collections of commercially available compounds by ChemDiv andIBS. WhileChemDiv stock mainly contains organic compounds ofsynthetic origin, IBS basically focuses on nature-based ... These moleculeswere randomly selected and purchased from ChemDiv and IBScollections.

HighThroughputApproaches in CarbohydrateActive Enzymology: Glycosidase and GlycosylTransferase Inhibitors, Evolution, and Discovery

Lemeng Chao; Seino Jongkees

PMC ID: PMC6771893 | DOI: 10.1002/anie.201900055 |ISSN: 1433-7851 | Journal: Angewandte Chemie (International Ed. in English),58(1) pp. 12750-12760 | Publisher: John Wileyand Sons Inc. | Publicationdate: 2019-07-17 | Print publication date: 2019-09-09

Originaldocument: PMC | Score: 14.426556 | Text size: 49031 | Find: similardocuments

group,initial hits against OGlcNAc transferase from an expanded version of the the commercial ChemDivlibrary21were diversified through combinatorial chemistry based on a conserved

A Ligand-Based Virtual Screening Method Using Direct Quantification ofGeneralization Ability

Weixing Dai; Dianjing Guo

PMC ID: PMC6651094 | DOI: 10.3390/molecules24132414 |Journal: Molecules, 24(1) | Publisher: MDPI | Publication date: 2019-06-30

Originaldocument: PMC | Score: 14.74994 | Text size: 37243 | Find: similardocuments

All the testcompounds were bought from ChemDiv (San Diego, CA, USA).

TRAF6 mediates human DNA2 polyubiquitination and nuclear localization tomaintain nuclear genome integrity

Yuan Meng; Changwei Liu; Lei Shen; Mian Zhou; Wenpeng Liu; Claudia Kowolik; Judith LCampbell;Li Zheng; Binghui Shen

PMC ID: PMC6698806 | DOI: 10.1093/nar/gkz537 |ISSN: 0305-1048 | Journal: Nucleic Acids Research, 47(1) pp. 7564-7579 |Publisher:OxfordUniversity Press | Publicationdate: 2019-06-19 | Print publication date: 2019-08-22

Originaldocument: PMC | Score: 13.76273 | Text size: 62685 | Find: similardocuments

The TRAF6 E3ligase inhibitor C25–140 (ChemDiv, Catalog #G827–0140) was added for 48h at a final concentration of 30 μM.

Development and optimization of a high-throughput screening methodutilizing Ancylostoma ceylanicum egg hatching to identify novel anthelmintics

Laura Abriola; Denton Hoyer; Conor R. Caffrey; David L.Williams;Timothy P.Yoshino;Jon J. Vermeire; Josué deMoraes

PMC ID: PMC6546214 | DOI: 10.1371/journal.pone.0217019 |Journal: PLoS ONE, 14(1) | Publisher: PublicLibrary of Science | Publicationdate: 2019-06-03

Originaldocument: PMC | Score: 14.618862 | Text size: 29332 | Find: similardocuments

Small MW,ChemBridge DiverSet, Enzo kinase inhibitor, Yale Compounds, MicroSourcePharmakon 1600,ChemDiv Diversity, Rainforest Endophyte Extracts)were screened against A. ceylanicum eggs in our egg hatch

Leveraging heterogeneous data from GHS toxicity annotations, molecularand protein target descriptors and Tox21 assay readouts to predict andrationalise acute toxicity

Chad H. G. Allen; Lewis H. Mervin; Samar Y. Mahmoud; Andreas Bender

PMC ID: PMC6544914 | DOI: 10.1186/s13321-019-0356-5 |Journal: Journal of Cheminformatics, 11(1) | Publisher: SpringerInternational Publishing | Publicationdate: 2019-05-31

Originaldocument: PMC | Score: 16.524874 | Text size: 84316 | Find: similardocuments

with the“reactive, unstable, toxic” endpoint, which includes structural alerts definedby ChemDiv, LifeChemicals and Enamine used for their internalcompound selection purposes, which was also ... propane and cyclopropane 25.13.1 × 10−5 Life chemicals TA567 Thioureas 25.1 3.1 ×10−5 ChemDiv TA885 Life chemicals TA1075 Ontarioinstitute for cancer research TA914 Nitrosos 16.

Subcellular compartmentalization of PKM2 identifies anti-PKM2 therapyresponse in vitro and in vivo mouse model of human non-small-cell lung cancer

Akiko Suzuki; Sachin Puri; Pamela Leland; Ankit Puri; Tarsem Moudgil; Bernard A. Fox; Raj K. Puri; Bharat H. Joshi; Aamir Ahmad

PMC ID: PMC6532891 | DOI: 10.1371/journal.pone.0217131 |Journal: PLoS ONE, 14(1) | Publisher: PublicLibrary of Science | Publicationdate: 2019-05-23

Originaldocument: PMC | Score: 13.878843 | Text size: 55081 | Find: similardocuments

(SMI-Compound2825–0090, N-(3-carboxy-4-hydroxy) phenyl 1–2,5,-dimethylpyrole) was purchasedfromChemDiv (San Diego, CA) and dissolved in PBS for treating theNSCLC and normal lung cell lines.

Novel chemical starting points for drug discovery in leishmaniasis andChagas disease

Irene Roquero; Juan Cantizani; Ignacio Cotillo; M. Pilar Manzano; Albane Kessler; J. JulioMartín; Case W. McNamara

PMC ID: PMC6545338 | DOI: 10.1016/j.ijpddr.2019.05.002 |Journal: International Journal for Parasitology: Drugs and DrugResistance, 10(1) pp. 58-68 | Publisher: Elsevier | Publication date: 2019-05-22

Originaldocument: PMC | Score: 13.76273 | Text size: 72868 | Find: similardocuments

the screencompounds. 76 T. cruzi hits and 63 L. donovani hits were available for resupplyfrom ChemDiv and Life Chemicals.

Advancement of the5-Amino-1-(Carbamoylmethyl)-1H-1,2,3-Triazole-4-Carboxamide Scaffold to Disarmthe Bacterial SOS Response

Trevor Selwood; Brian J. Larsen; Charlie Y. Mo; Matthew J.Culyba;Zachary M.Hostetler;Rahul M. Kohli; Allen B. Reitz; Simon D. P. Baugh

PMC ID: PMC6305444 | DOI: 10.3389/fmicb.2018.02961 |Journal: Frontiers in Microbiology, 9(1) | Publisher: Frontiers Media S.A. |Publication date: 2018-12-18

Originaldocument: PMC | Score: 14.2392435 | Text size: 51939 | Find: similardocuments

Analogswhich were not synthesized were obtained from commercial vendors ChemDiv (SanDiego, CA, United States) and Vitas-M Laboratory (Champagne, IL).

Stemness marker ALDH1A1 promotes tumor angiogenesis via retinoicacid/HIF-1α/VEGF signalling in MCF-7 breastcancer cells

Valerio Ciccone; Erika Terzuoli; Sandra Donnini; AntonioGiachetti;Lucia Morbidelli; Marina Ziche

PMC ID: PMC6291966 | DOI: 10.1186/s13046-018-0975-0 |ISSN: 0392-9078 | Journal: Journal of Experimental & Clinical Cancer Research: CR, 37(1) | Publisher: BioMedCentral | Publicationdate: 2018-12-12

Originaldocument: PMC | Score: 13.536236 | Text size: 64085 | Find: similardocuments

MethodsChemicals and reagents The ALDH1A1 selective inhibitor CM037 was from ChemDivInc. (San Diego, CA, USA).

Inhibition of CPAP–tubulin interaction prevents proliferation ofcentrosomeamplified cancercells

AruljothiMariappan;Komal Soni; Kenji Schorpp; Fan Zhao; Amin Minakar; Xiangdong Zheng; Sunit Mandad; Iris Macheleidt; Anand Ramani; TomášKubelka;MaciejDawidowski;KristinaGolfmann;Arpit Wason; Chunhua Yang; Judith Simons; HansGünther Schmalz; Anthony A Hyman; Ritu Aneja;Roland Ullrich; Henning Urlaub; MargareteOdenthal;ReinhardtBüttner; Haitao Li; Michael Sattler; Kamyar Hadian; JayGopalakrishnan

PMC ID: PMC6331730 | DOI: 10.15252/embj.201899876 |ISSN: 0261-4189 | Journal: The EMBO Journal, 38(1) | Publisher: John Wileyand Sons Inc. | Publicationdate: 2018-12-10 | Print publication date: 2019-01-15

Originaldocument: PMC | Score: 12.700202 | Text size: 117793 | Find: similardocuments

in the CPAPtubulin HTScampaign was composed of compounds acquired from three providers, namelyChemDiv,Inc. (10,000 compounds), Enamine, Ltd. (10,000 compounds), andChemBridge, Corp. (5,000 compounds).

An Experimental Pipeline for Initial Characterization of Bacterial TypeIII Secretion System Inhibitor Mode of Action Using Enteropathogenic Yersinia

Jessica M.Morgan;Hanh N. Lam; Jocelyn Delgado; Justin Luu; Sina Mohammadi; Ralph R. Isberg; Helen Wang; VictoriaAuerbuch

PMC ID: PMC6262202 | DOI: 10.3389/fcimb.2018.00404 |Journal: Frontiers in Cellular and Infection Microbiology, 8(1) | Publisher: FrontiersMedia S.A. | Publicationdate: 2018-11-22

Originaldocument: PMC | Score: 13.996932 | Text size: 65275 | Find: similardocuments

INP0010(CAS# 68639-26-9) was obtained from ChemDiv.

QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery

Bruno J. Neves; Rodolpho C.Braga;Cleber C.Melo-Filho;JoséTeófilo Moreira-Filho; Eugene N.Muratov;Carolina HortaAndrade

PMC ID: PMC6262347 | DOI: 10.3389/fphar.2018.01275 |Journal: Frontiers in Pharmacology, 9(1) | Publisher: Frontiers Media S.A. |Publication date: 2018-11-13

Originaldocument: PMC | Score: 14.74994 | Text size: 33091 | Find: similardocuments

data wereused to develop QSAR models and, then, applied to screen near 700,000 compoundsfromChemDiv database.

Discovery of a Novel Microtubule Targeting Agent as an Adjuvant forCancer Immunotherapy

Fumi Sato-Kaneko; Xiaodong Wang; Shiyin Yao; Tadashi Hosoya; Fitzgerald S.Lao;Karen Messer; Minya Pu; Nikunj M. Shukla; Howard B. Cottam;Michael Chan; Dennis A. Carson; Maripat Corr; Tomoko Hayashi

PMC ID: PMC6199861 | DOI: 10.1155/2018/8091283 |ISSN: 2314-6133 | Journal: BioMed Research International, 2018(1) | Publisher:Hindawi | Publication date: 2018-10-10

Originaldocument: PMC | Score: 13.996932 | Text size: 52535 | Find: similardocuments

Othercompounds were purchased from ChemBridge Corporation and ChemDiv andwere verified for purity (>98%) by LC-MS.

Correcting glucose-6-phosphate dehydrogenase deficiency with asmall-molecule activator

Sunhee Hwang; Karen Mruk; Simin Rahighi; Andrew G. Raub; Che-Hong Chen; Lisa E. Dorn; Naoki Horikoshi; Soichi Wakatsuki; James K. Chen;DariaMochly-Rosen

PMC ID: PMC6168459 | DOI: 10.1038/s41467-018-06447-z |Journal: Nature Communications, 9(1) | Publisher: NaturePublishing Group UK |Publication date: 2018-10-02

Originaldocument: PMC | Score: 13.536236 | Text size: 71259 | Find: similardocuments

All thecompounds purchased from SPECS, Chembridge, ChemDiv Kinase,LOPAC, Microsource Spectrum, Biomol FDA, Biomol ICCB, and NIH ClinicalCollection were

Genome-Wide Inhibition of Pro-atherogenic Gene Expression by Multi-STATTargeting Compounds as a Novel Treatment Strategy of CVDs

MartynaPlens-Galaska; MalgorzataSzelag;Aida Collado; Patrice Marques; Susana Vallejo; MariellaRamos-González; Joanna Wesoly; MaríaJesus Sanz;ConcepciónPeiró; Hans A. R.Bluyssen

PMC ID: PMC6156247 | DOI: 10.3389/fimmu.2018.02141 |Journal: Frontiers in Immunology, 9(1) | Publisher: Frontiers Media S.A. |Publication date: 2018-09-19

Originaldocument: PMC | Score: 12.700202 | Text size: 108167 | Find: similardocuments

C01 andC01L_A03-C01L_F03 were purchased from Enamine; E01 from Asinex; F01 from ChemDiv;STX-0119 from Merck and STATTIC from Sigma-Aldrich.

Small molecules that target group II introns are potent antifungal agents

Olga Fedorova; G. Erik Jagdmann; Rebecca L. Adams; Lin Yuan; Michael C. VanZandt;Anna Marie Pyle

PMC ID: PMC6239893 | DOI: 10.1038/s41589-018-0142-0 |ISSN: 1552-4450 | Journal: Nature chemical biology, 14(1) pp. 1073-1078 |Publication date: 2018-09-07 | Print publication date: 2018-12

Originaldocument: PMC | Score: 13.878843 | Text size: 58425 | Find: similardocuments

(76compounds), protease inhibitors (53 compounds) and additional compounds fromChemBridge MW andChemDiv to bring the total number of compounds to 10000.

The Small-Compound Inhibitor K22 Displays Broad Antiviral Activityagainst Different Members of the Family Flaviviridae and Offers Potential as aPanviral Inhibitor

ObdulioGarcía-Nicolás; Philip V'kovski; Nathalie J.Vielle;Nadine Ebert; Roland Züst; Jasmine Portmann; HanspeterStalder;VéroniqueGaschen;GabrielleVieyres;Michael Stoffel; MatthiasSchweizer;ArturSummerfield;Olivier Engler; ThomasPietschmann;Daniel Todt; Marco P. Alves;Volker Thiel; StephaniePfaender

PMC ID: PMC6201103 | DOI: 10.1128/AAC.01206-18 |ISSN: 0066-4804 | Journal: Antimicrobial Agents and Chemotherapy, 62(1) | Publisher:American Society for Microbiology | Publication date: 2018-09-04

Originaldocument: PMC | Score: 13.648543 | Text size: 65154 | Find: similardocuments

benzamide)was purchased from ChemDiv (catalog number 4295-0370; SanDiego, CA) and DMSO.

The TMEM16A channel mediates the fast polyspermy block in Xenopus laevis

Katherine L.Wozniak;Wesley A. Phelps; Maiwase Tembo; Miler T. Lee; Anne E. Carlson

PMC ID: PMC6122928 | DOI: 10.1085/jgp.201812071 |ISSN: 0022-1295 | Journal: The Journal of General Physiology, 150(1) pp.1249-1259 |Publisher: Rockefeller University Press | Publicationdate: 2018-09-03 | Print publication date: 2018-09-03

Originaldocument: PMC | Score: 14.2392435 | Text size: 54256 | Find: similardocuments

and 2-(4-chloro-2-methylphenoxy)-N-[(2-methoxyphenyl)methylideneamino]-acetamide(Ani9) from ChemDiv.

Discovery and Identification of Pyrazolopyramidine Analogs as NovelPotent Androgen Receptor Antagonists

Lingyan Wang; Tianqing Song; Xin Wang; Jiazhong Li

PMC ID: PMC6121070 | DOI: 10.3389/fphar.2018.00864 |Journal: Frontiers in Pharmacology, 9(1) | Publisher: Frontiers Media S.A. |Publication date: 2018-08-28

Originaldocument: PMC | Score: 18.165255 | Text size: 48086 | Find: similardocuments

Then the ARcrystal structure (PDB ID:1T65) and Anti-AR were both used to virtually screenthe ChemDivdatabase by using Glide standard precision (SP) dockingprogram. Glide SP, a semi flexible docking method, performs exhaustive samplingand is the recommended balance between speed and accuracy. ChemDiv isnow the recognized global leader in discovery chemistry with the industry'slargest, most ... regression (MLR) method were employed to in silico evaluatethe bioactivities of the filtered ChemDiv chemicals containedin database 2. The development and validation of QSAR models The linear MLR ...preparation Considering the diversity of the molecular structure, thecommercially available ChemDiv structural library(http://www.chemdiv.

A metabolite-derived protein modification integrates glycolysis withKEAP1-NRF2 signaling

Michael J.Bollong;Gihoon Lee; John S. Coukos; Hwayoung Yun; Claudio Zambaldo; Jae Won Chang; Emily N. Chin; Insha Ahmad; Arnab K.Chatterjee;Luke L. Lairson; Peter G. Schultz; Raymond E.Moellering

PMC ID: PMC6444936 | DOI: 10.1038/s41586-018-0622-0 |ISSN: 0028-0836 | Journal: Nature, 562(1) pp. 600-604 |Publicationdate: 2018-08-28 | Print publication date: 2018-10

Originaldocument: PMC | Score: 15.963614 | Text size: 82825 | Find: similardocuments

CBR-470-0and CBR-581-9 were from ChemDiv. CBR-470-1 (initially from ChemDiv asD470-2172) and related analogs were synthesized in house according to fullmethods described in

K284-6111 prevents the amyloid beta-induced neuroinflammation andimpairment of recognition memory through inhibition of NF-κB-mediated CHI3L1 expression

Ji Yeon Choi; In Jun Yeo; Ki Cheon Kim; Won Rack Choi; Jae-Kyung Jung; Sang-Bae Han; Jin Tae Hong

PMC ID: PMC6087013 | DOI: 10.1186/s12974-018-1269-3 |Journal: Journal of Neuroinflammation, 15(1) | Publisher: BioMedCentral |Publication date: 2018-08-11

Originaldocument: PMC | Score: 13.878843 | Text size: 52408 | Find: similardocuments

(K284-6111)and other chemicals were obtained from ChemDiv, Inc. (Cat No.3292320, San Diego, CA).

Targeting the Microenvironment in High Grade Serous Ovarian Cancer

Nkechiyere G.Nwani;Livia E. Sima; WilbertoNieves-Neira; Daniela Matei

PMC ID: PMC6115937 | DOI: 10.3390/cancers10080266 |Journal: Cancers, 10(1) | Publisher: MDPI | Publication date: 2018-08-10

Originaldocument: PMC | Score: 13.42576 | Text size: 89735 | Find: similardocuments

efforts usedan AlphaLISA-based assay adapted to high-throughput screening and applied tothe ChemDivlibrary leading to the discovery and validation ofseveral small molecules [126].

Insights into the development of chemical probes for RNA

Brittany SMorgan;Jordan E Forte; Amanda EHargrove

PMC ID: PMC6144806 | DOI: 10.1093/nar/gky718 |ISSN: 0305-1048 | Journal: Nucleic Acids Research, 46(1) pp. 8025-8037 |Publisher:OxfordUniversity Press | Publicationdate: 2018-08-08 | Print publication date: 2018-09-19

Originaldocument: PMC | Score: 14.2392435 | Text size: 66141 | Find: similardocuments

Recently,chemical companies have designed such focused libraries (ChemDiv,Nucleic Acid Ligands: http://www.chemdiv.

Biaryl sulfonamide motifs up- or down-regulate ion channel activity byactivating voltage sensors

Sara I. Liin; Per-Eric Lund; Johan E. Larsson; Johan Brask; BjörnWallner;Fredrik Elinder

PMC ID: PMC6080886 | DOI: 10.1085/jgp.201711942 |ISSN: 0022-1295 | Journal: The Journal of General Physiology, 150(1) pp.1215-1230 |Publisher: Rockefeller University Press | Publicationdate: 2018-08-06 | Print publication date: 2018-08-06

Originaldocument: PMC | Score: 14.2392435 | Text size: 60672 | Find: similardocuments

ConsortiumSweden)*; Natural derivatives (TimTec); NIH Clinical Collection (NIH);Peptidomimetics (ChemDiv Inc.)*; and Tocriscreen Plus (Tocris Bioscience).

Identification of a novel c-Myc inhibitor with antitumor effects onmultiple myeloma cells

Ruosi Yao; Xiaoyang Sun; Yu Xie; Xiaoshen Sun; Yao Yao; Hujun Li; Zhenyu Li; Jian Gao; Kailin Xu

PMC ID: PMC6146296 | DOI: 10.1042/BSR20181027 |ISSN: 0144-8463 | Journal: Bioscience Reports, 38(1) | Publisher: PortlandPress Ltd. |Publication date: 2018-08-01

Originaldocument: PMC | Score: 17.709631 | Text size: 28027 | Find: similar documents

It wasidentified from the ChemDiv compound database by moleculardocking-based, high-throughput virtual screening. ... The ChemDiv database,a commercially available small molecule database from TopScience Co. ...Because only 2D-structural information was available, all compounds inthe ChemDiv database were preprocessed by using the dbtranslate module in Sybyl-X2.

Identification of a small molecule inhibitor of Ebola virus genomereplication and transcription using in silico screening

Victoria Easton; Martin McPhillie; IsabelGarcia-Dorival; John N. Barr; Thomas A.Edwards;Richard Foster; Colin Fishwick; Mark Harris

PMC ID: PMC6371959 | DOI: 10.1016/j.antiviral.2018.06.003 |ISSN: 0166-3542 | Journal: Antiviral Research, 156(1) pp. 46-54 |Publisher:Elsevier | Publication date: 2018-08-01 | Print publication date: 2018-08

Originaldocument: PMC | Score: 17.646307 | Text size: 42059 | Find: similardocuments

Dry stocksof the original compounds were later purchased from the original supplier (ChemDiv)to confirm initial biological activity. Follow-up compounds were purchased fromChemBridge or ChemDiv and shipped as dry stocks. ...structural derivatives, where particular functional groups had been modified,were purchased (from ChemDiv Inc) and a further eight ChemBridgeanalogues were identified using the programme ROCS (rapid overlay

Screening and analysis of acetyl-cholinesterase (AChE) inhibitors in thecontext of Alzheimer's disease

Mohd. Babu Khan; Bhagath KumarPalaka;Tuleshwori DeviSapam;Naidu Subbarao; Dinakara RaoAmpasala

PMC ID: PMC6166398 | DOI: 10.6026/97320630014414 |Journal: Bioinformation, 14(1) pp. 414-428 | Publisher: BiomedicalInformatics |Publication date: 2018-08

Originaldocument: PMC | Score: 19.113825 | Text size: 36455 | Find: similardocuments

Ligandlibrary preparation A library of 23,731 CNS_BBB compounds was obtained fromthe ChemDiv database ([21]. CNS-BBB ChemDiv database compound is a known asantioxidant and anti-inflammatory nature, and the 2D structures in Sdf formatwere downloaded from theChemDiv database, and created a 3D-Phasedatabase from Phase module of the Schrodinger, phase version 3.2. ...Discussion Based on this CNS-BBB, Standard Data Format (SDF) data, provided bythe ChemDiv Data base server, finding the top three ligandinhibitors as M1, M8, and M10 shows a good ... -204.27+/-50.94 -214.40 +/12.67Table 3 ADMET Property profile of the top ten hits of CNS-BBB of ChemDiv databasecompounds Compound Ida Molecular Weight1 SASA2 QPLogS3 QPlog- HERG4 QPlog-BB5 %HOA6

Frizzled-8 integrates Wnt-11 and transforming growth factor-β signaling in prostate cancer

VirginiaMurillo-Garzón; IrantzuGorroño-Etxebarria; MalinÅkerfelt; Mikael ChristerPuustinen;Lea Sistonen; Matthias Nees; James Carton;Jonathan Waxman; Robert M. Kypta

PMC ID: PMC5931552 | DOI: 10.1038/s41467-018-04042-w |Journal: Nature Communications, 9(1) | Publisher: NaturePublishing Group UK |Publication date: 2018-05-01

Originaldocument: PMC | Score: 13.104898 | Text size: 82903 | Find: similardocuments

Inhibitor 1(3235-0367) and 2 (2124-0331), which were obtained from ChemDiv Inc. (CA,USA) were used at 10 μM for 24 hin migration assays.

Small molecule KDM4s inhibitors as anti-cancer agents

Hongzhi Lin; Qihang Li; Qi Li; Jie Zhu; Kai Gu; Xueyang Jiang; Qianqian Hu; Feng Feng; Wei Qu; Yao Chen; Haopeng Sun

PMC ID: PMC6010108 | DOI: 10.1080/14756366.2018.1455676 |ISSN: 1475-6366 | Journal: Journal of Enzyme Inhibition and Medicinal Chemistry,33(1) pp. 777-793 | Publisher: Taylor &Francis | Publicationdate: 2018-04-13

Originaldocument: PMC | Score: 13.536236 | Text size: 76162 | Find: similardocuments

A moleculardocking-based virtual screening against various chemical libraries includeSpecs and ChemDivwas performed to retrieve two compounds withmodest inhibition rate against KDM4D (> 50% at 10 μM).

High Performance Virtual Screening by Targeting a High-resolution RNADynamic Ensemble

Laura R. Ganser; Janghyun Lee; Atul Rangadurai; Dawn K. Merriman; Megan L. Kelly; Aman D. Kansal; BharathwajSathyamoorthy; Hashim M.Al-Hashimi

PMC ID: PMC5942591 | DOI: 10.1038/s41594-018-0062-4 |ISSN: 1545-9993 | Journal: Nature structural & molecular biology, 25(1) pp.425-434 | Publication date: 2018-04-05 | Print publication date: 2018-05

Originaldocument: PMC | Score: 14.117049 | Text size: 66856 | Find: similardocuments

Michigan,Ann Arbor. 100,000 molecules were synthetic organic molecules with drug-likeproperties (ChemDiv). The other 3,498 compounds consisted of 2,000bioactive molecules (MicroSource Discovery Systems

In Silico Discovery of a Substituted 6-Methoxy-quinalidine withLeishmanicidal Activity in Leishmania infantum

StrahinjaStevanović; Andrej Perdih; MilanSenćanski; SanjaGlišić; Margarida Duarte; Ana M.Tomás; Filipa V. Sena; Filipe M. Sousa; Manuela M.Pereira;Tom Solmajer; Thomas J.Schmidt

PMC ID: PMC6017605 | DOI: 10.3390/molecules23040772 |Journal: Molecules : A Journal of Synthetic Chemistry andNatural Product Chemistry, 23(1) | Publisher: MDPI | Publication date: 2018-03-27

Originaldocument: PMC | Score: 14.301138 | Text size: 49462 | Find: similardocuments

of 500,000commercially available compounds originating from different vendors (e.g.,VITAS-M, ChemDiv, ChemBridge, etc.

Computer-Aided Drug Design in Epigenetics

Wenchao Lu; Rukang Zhang; Hao Jiang; Huimin Zhang; Cheng Luo

PMC ID: PMC5857607 | DOI: 10.3389/fchem.2018.00057 |Journal: Frontiers in Chemistry, 6(1) | Publisher: Frontiers Media S.A. |Publication date: 2018-03-12

Originaldocument: PMC | Score: 13.42576 | Text size: 116979 | Find: similar documents

LSD1; PRMT5ChEMBL ~1.7 million GCN5; BRD4 ChemDiv ~1.5million http://www.chemdiv.

Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space viaCheminformatics Approaches: Impact on Rational Drug Design

Shaherin Basith; Minghua Cui; Stephani J. Y.Macalino;Jongmi Park; Nina A. B.Clavio;Soosung Kang; Sun Choi

PMC ID: PMC5854945 | DOI: 10.3389/fphar.2018.00128 |Journal: Frontiers in Pharmacology, 9(1) | Publisher: Frontiers Media S.A. |Publication date: 2018-03-09

Originaldocument: PMC | Score: 16.120045 | Text size: 112002 | Find: similardocuments

Kruse etal., 2013 Ki=1.2 uM A, nonrhodopsin (lipid-like) CB2R Enamine, Otava,ChemBridge, ChemDiv, Vitasm, IBS, LifeChemicals, Specs, and TimTec:5,613,820 compounds 13 hits ≥ 50% inhibition at 10 ... 80,700 ChemBridge 1,100,000 Y ChemDiv 1,500,000 Y CoCoCo 6,981,500 http://cococo.isof.cnr.

Virtual Screening of Small Molecular Inhibitors against DprE1

Gang Zhang; Song Guo; Huaqing Cui; Jianguo Qi

PMC ID: PMC6017230 | DOI: 10.3390/molecules23030524 |Journal: Molecules : A Journal of Synthetic Chemistry andNatural Product Chemistry, 23(1) | Publisher: MDPI | Publication date: 2018-02-27

Originaldocument: PMC | Score: 18.638195 | Text size: 23102 | Find: similardocuments

Weidentified potential DprE1 inhibitors from the ChemDiv datasetthrough virtual screening based on pharmacophore and molecular docking. ...Results and Discussion The ChemDiv is the industry’s largest,most diverse, and most pharmacologically-relevant commercial collection, ...Preparation for Virtual Screening TheChemDiv dataset containing1.96 million compounds was downloaded from the ZINC database [11]. ... FirstRound of Screening Based on Oprea’s Lead-Likeness Criteria The ChemDiv dataset,containing 1,962,494 compounds, was filtered to exclude compounds that did notfollow ... We identified DprE1 inhibitors from theChemDiv datasetthrough virtual screening based on pharmacophore and molecular docking.

Combination of Virtual Screening Protocol by in Silico toward theDiscovery of Novel 4-Hydroxyphenylpyruvate Dioxygenase Inhibitors

Ying Fu; Yi-Na Sun; Ke-Han Yi; Ming-Qiang Li; Hai-Feng Cao; Jia-Zhong Li; Fei Ye

PMC ID: PMC5807903 | DOI: 10.3389/fchem.2018.00014 |Journal: Frontiers in Chemistry, 6(1) | Publisher: FrontiersMedia S.A. |Publication date: 2018-02-06

Originaldocument: PMC | Score: 18.863625 | Text size: 48724 | Find: similardocuments

pharmacophoremodel was used as a 3D query for searching four databases (Maybridge,Chembridge,ChemDiv, and Specs) to discern novel HPPD inhibitors and alsoutilized as a predictive program to estimate ... Subsequently, Chembridge,Maybridge, ChemDiv and Specs were selected as “Input Database”and Hypo1 was imported to “Input Pharmacophore” to ... as a 3D query tool toscreen the chemical databases like Maybridge (20565), Chembridge (40637), ChemDiv (12620),and Specs (37738). ... As a result, 643, 392, 416, and 466 (a total of 1917)compounds from Maybridge, Chembridge, ChemDiv and Specs, weremapped upon all the features of Hypo1.

QStatin, a Selective Inhibitor of Quorum Sensing in Vibrio Species

Byoung Sik Kim; Song Yee Jang; Ye-ji Bang; Jungwon Hwang; Youngwon Koo; Kyung Ku Jang; Dongyeol Lim; Myung Hee Kim; Sang Ho Choi; E. PeterGreenberg

PMC ID: PMC5790914 | DOI: 10.1128/mBio.02262-17 |Journal: mBio, 9(1) | Publisher: AmericanSociety for Microbiology | Publicationdate: 2018-01-30

Originaldocument: PMC | Score: 13.996932 | Text size: 72030 | Find: similardocuments

Hitmolecules were either purchased from ChemDiv (San Diego, CA)or synthesized as described below.

Identification of allosteric inhibitors of the ecto-5'-nucleotidase(CD73) targeting the dimer interface

Rahila Rahimova; Simon Fontanel; Corinne Lionne; Lars PeterJordheim;SuzannePeyrottes;Laurent Chaloin; AvnerSchlessinger

PMC ID: PMC5805337 | DOI: 10.1371/journal.pcbi.1005943 |ISSN: 1553-734X | Journal: PLoS Computational Biology, 14(1) | Publisher: PublicLibrary of Science | Publicationdate: 2018-01-29

Originaldocument: PMC | Score: 13.76273 | Text size: 68647 | Find: similardocuments

was composedof unique molecules, commercially available from several main suppliers(Asinex, ChemDiv Inc., Vitas-M laboratory and Enamine).

NMR-Fragment Based Virtual Screening: A Brief Overview

Meenakshi Singh; Benjamin Tam; Barak Akabayov

PMC ID: PMC6017141 | DOI: 10.3390/molecules23020233 |Journal: Molecules : A Journal of Synthetic Chemistry andNatural Product Chemistry, 23(1) | Publisher: MDPI | Publication date: 2018-01-25

Originaldocument: PMC | Score: 13.996932 | Text size: 94229 | Find: similardocuments

1500Modified Ro3 compliant Kinase focused fragment library 500 19F labeled fragmentlibrary 500 ChemDiv3D designed fragment library >4000 Ro3compliant Enamine “Simple” fragment library 126,597 Ro3

Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells

Brent D. G. Page; Nicholas C. K.Valerie;Roni H. G.Wright;Olov Wallner; Rebecka Isaksson; Megan Carter; Sean G. Rudd; Olga Loseva; Ann-Sofie Jemth; IngridAlmlöf;Jofre Font-Mateu; SabinLlona-Minguez; PawelBaranczewski; Fredrik Jeppsson; Evert Homan; Helena Almqvist; Hanna Axelsson; Shruti Regmi; Anna-LenaGustavsson;ThomasLundbäck; Martin Scobie; KiaStrömberg; PålStenmark;Miguel Beato; Thomas Helleday

PMC ID: PMC5772648 | DOI: 10.1038/s41467-017-02293-7 |Journal: Nature Communications, 9(1) | Publisher: NaturePublishing Group UK |Publication date: 2018-01-17

Originaldocument: PMC | Score: 13.317075 | Text size: 78980 | Find: similardocuments

(CBCS)primary screening set and several commercial libraries from Enamine, TimTec,Maybridge andChemDiv.

Identification of Collateral Sensitivity to Dihydroorotate DehydrogenaseInhibitors in Plasmodium falciparum

Leila Saxby Ross; MariaJosé Lafuente-Monasterio; TomoyoSakata-Kato;Rebecca E. K.Mandt;Francisco JavierGamo;Dyann F. Wirth; Amanda K. Lukens

PMC ID: PMC5899019 | DOI: 10.1021/acsinfecdis.7b00217 |Journal: ACS Infectious Diseases, 4(1) pp. 508-515 |Publisher: American Chemical Society | Publicationdate: 2018-01-16 | Print publication date: 2018-04-13

Originaldocument: PMC | Score: 14.426556 | Text size: 40292 | Find: similardocuments

IDI-6273 waspurchased from ChemDiv.

Reverting iodine avidity of radioactive-iodine refractory thyroid cancerwith a new tyrosine kinase inhibitor (K905-0266) excavated by high-throughputNIS (sodium iodide symporter) enhancer screening platform using dual reportergene system

Ji Min Oh; SenthilkumarKalimuthu;Prakash Gangadaran; Se Hwan Baek; Liya Zhu; Ho Won Lee; Ramya LakshmiRajendran;Chae Moon Hong; Shin Young Jeong; Sang-Woo Lee; Jaetae Lee; Byeong-Cheol Ahn

PMC ID: PMC5805537 | DOI: 10.18632/oncotarget.24159 |Journal: Oncotarget, 9(1) pp. 7075-7087 |Publisher: Impact Journals LLC |Publication date: 2018-01-11

Originaldocument: PMC | Score: 14.117049 | Text size: 45448 | Find: similardocuments

K905-0266TKI was purchased from ChemDiv (San Diego, CA, USA) anddissolved in dimethyl sulfoxide (DMSO) and stored at −80°C.

Kallikrein-related peptidase 7 is a potential target for the treatment ofpancreatic cancer

Jian Ping Du; Lin Li; Jun Zheng; Ding Zhang; Wei Liu; Wei Hong Zheng; Xiao Song Li; Ru Cheng Yao; Fangyu Wang; Sen Liu; Xiao Tan

PMC ID: PMC5849182 | DOI: 10.18632/oncotarget.24132 |Journal: Oncotarget, 9(1) pp. 12894-12906 | Publisher: Impact Journals LLC |Publication date: 2018-01-10

Originaldocument: PMC | Score: 16.44229 | Text size: 45197 | Find: similardocuments

In silicoscreening of novel KLK7 inhibitors The 1,044,623 molecules in the ChemDiv databasewere prepared in Pipeline Pilot to generate 3-D conformations and minimized(Figure 5). ... Experimental validation of novel KLK7 inhibitors The 300compounds purchased from the ChemDiv library were evaluatedfor the in vitro inhibition of KLK7 by measuring the hydrolysis of the FRET

Polarized actin and VE-cadherin dynamics regulate junctional remodellingand cell migration during sprouting angiogenesis

Jiahui Cao; Manuel Ehling; Sigrid März; Jochen Seebach; KatsiarynaTarbashevich; Tomas Sixta; Mara E.Pitulescu;Ann-CathrinWerner;Boris Flach;Eloi Montanez; Erez Raz; Ralf H. Adams; Hans Schnittler

PMC ID: PMC5738342 | DOI: 10.1038/s41467-017-02373-8 |Journal: Nature Communications, 8(1) | Publisher: NaturePublishing Group UK |Publication date: 2017-12-20

Originaldocument: PMC | Score: 13.104898 | Text size: 94651 | Find: similardocuments

purchasedfrom Calbiochem (Bad Soden, Germany), and the active inhibitor CK548 waspurchased fromChemDiv (#K205-1650, San Diego, USA). Regents were usedat concentrations as indicated in the text.

Small molecule Photoregulin3 prevents retinal degeneration in the RhoP23Hmouse model of retinitis pigmentosa

Paul A Nakamura; Andy A Shimchuk; Shibing Tang; Zhizhi Wang; Kole DeGolier; Sheng Ding; Thomas A Reh; Jeremy Nathans

PMC ID: PMC5693111 | DOI: 10.7554/eLife.30577 |Journal: eLife, 6(1) | Publisher: eLifeSciences Publications, Ltd | Publicationdate: 2017-11-17

Originaldocument: PMC | Score: 17.52101 | Text size: 49512 | Find: similardocuments

LaboratoryJackson Stock No: 000664; RRID:IMSR_JAX:000664 Chemical compound Photoregulin3(PR3)ChemDiv, and then synthesized in Ding Lab PubChem CID: 2092851Chemical compound Photoregulin1 (PR1)ChemDiv, and then synthesized inDing Lab PubChem CID: 7901316 Antibody Anti- Rhodopsin (Rho4D2), mouse ... Itwas initially obtained from ChemDiv and then synthesized andpurified in large quantities in the lab after initial screening.

A novel Fer/FerT targeting compound selectively evokes metabolic stressand necrotic death in malignant cells

Yoav Elkis; Moshe Cohen; Etai Yaffe; ShirlySatmary-Tusk; Tal Feldman; Elad Hikri; Abraham Nyska; Ariel Feiglin; Yanay Ofran; Sally Shpungin; Uri Nir

PMC ID: PMC5643328 | DOI: 10.1038/s41467-017-00832-w |Journal: Nature Communications, 8(1) | Publisher: Nature Publishing Group UK |Publication date: 2017-10-16

Originaldocument: PMC | Score: 15.367116 | Text size: 95412 | Find: similardocuments

robot, andapplied for screening a library comprised of 100,000 synthetic compounds (ChemDiv,USA). ... E260 was also computationally analyzed using the ChemSoft software (ChemDiv,USA) and proven to possess drug-likeness according to the Lipinski’s rule of 561.

Nanoparticulate vacuolar ATPase blocker exhibits potent host-targetedantiviral activity against feline coronavirus

Che-Ming Jack Hu; Wei-Shan Chang; Zih-Syun Fang; You-Ting Chen; Wen-Lin Wang; Hsiao-Han Tsai; Ling-Ling Chueh; Tomomi Takano; Tsutomu Hohdatsu; Hui-Wen Chen

PMC ID: PMC5638965 | DOI: 10.1038/s41598-017-13316-0 |Journal: Scientific Reports, 7(1) | Publisher: NaturePublishing Group UK |Publication date: 2017-10-12

Originaldocument: PMC | Score: 13.996932 | Text size: 51246 | Find: similardocuments

Diphyllinand diphyllin-encapsulated nanoparticles Diphyllin (ChemDiv, San Diego,CA) and bafilomycin A1 (Sigma) were dissolved in dimethyl sulfoxide (DMSO,Sigma).

Novel direct AMPK activator suppresses non-small cell lung cancer throughinhibition of lipid metabolism

Xi Chen; Chun Xie; Xing-Xing Fan; Ze-Bo Jiang; Vincent Kam-WaiWong;Jia-Hui Xu; Xiao-Jun Yao; Liang Liu; Elaine Lai-HanLeung

PMC ID: PMC5707083 | DOI: 10.18632/oncotarget.21716 |Journal: Oncotarget, 8(1) pp. 96089-96102 | Publisher: Impact Journals LLC |Publication date: 2017-10-09

Original document: PMC | Score: 13.878843 | Text size: 55446 | Find: similardocuments

MATERIALSAND METHODS Materials The compound library consisting 74 compounds werepurchased fromChemDiv (San Diego, CA, USA).

Eicosapentaenoic acid and 5-HEPE enhance macrophage-mediated Treginduction in mice

ToshiharuOnodera;AtsunoriFukuhara;Jihoon Shin; TomonoriHayakawa;Michio Otsuki; IichiroShimomura

PMC ID: PMC5496870 | DOI: 10.1038/s41598-017-04474-2 |Journal: Scientific Reports, 7(1) | Publisher: NaturePublishing Group UK |Publication date: 2017-07-04

Originaldocument: PMC | Score: 13.996932 | Text size: 45088 | Find: similardocuments

GPR119antagonist TM43718 was purchased as E897-0145 from ChemDiv (SanDiego, CA, USA).

Identification of Direct Activator of Adenosine Monophosphate-ActivatedProtein Kinase (AMPK) by Structure-Based Virtual Screening and MolecularDocking Approach

Tonghui Huang; Jie Sun; Shanshan Zhou; Jian Gao; Yi Liu

PMC ID: PMC5535900 | DOI: 10.3390/ijms18071408 |Journal: International Journal of Molecular Sciences, 18(1) | Publisher: MDPI |Publicationdate: 2017-06-30

Originaldocument: PMC | Score: 18.617102 | Text size: 32937 | Find: similardocuments

A chemicallibrary containing with 1,500,000 commercially available compounds (ChemDiv database)was docked to the molecular models of α1β1γ1 and α2β1γ1 AMPKisoforms in silico, respectively. Prior to docking, the ChemDiv databasewas split into eight subsets for molecular docking. ... The ChemDiv databasewas supplied by Topscience Co. ... Figure 5 Structures of retrieved hitstargeting α1β1γ1 AMPK isoformfromChemDiv database. Figure 6 The binding modes of typical hitcompounds for α1β1γ1 AMPKisoform. ... Figure 7 Structures of retrieved hits targeting α2β1γ1 AMPKisoform from ChemDiv database. Figure 8 The binding modes oftypical activators for α2β1γ1 AMPKisoform.

Identification of benzazole compounds that induce HIV-1 transcription

Jason D. Graci; Daniel Michaels; Guangming Chen; Gillian M.Schiralli Lester; Sarah Nodder; Marla Weetall; Gary M. Karp; Zhengxian Gu; Joseph M.Colacino;Andrew J.Henderson;Fatah Kashanchi

PMC ID: PMC5489165 | DOI: 10.1371/journal.pone.0179100 |Journal: PLoS ONE, 12(1) | Publisher: PublicLibrary of Science | Publicationdate: 2017-06-28

Originaldocument: PMC | Score: 13.878843 | Text size: 63610 | Find: similardocuments

Compound 1,2-(4-(5-amino-1H-benzimidazol-2-yl)phenyl)benzoxazol-5-amine, was acquiredfrom ChemDiv(San Diego, CA). Compounds 2–6 were synthesized at PTCTherapeutics, Inc.

3D Pharmacophore-Based Virtual Screening and Docking Approaches towardthe Discovery of Novel HPPD Inhibitors

Ying Fu; Yi-Na Sun; Ke-Han Yi; Ming-Qiang Li; Hai-Feng Cao; Jia-Zhong Li; Fei Ye; AlessandroPedretti

PMC ID: PMC6152767 | DOI: 10.3390/molecules22060959 |Journal: Molecules : A Journal of Synthetic Chemistry andNatural Product Chemistry, 22(1) | Publisher: MDPI | Publication date: 2017-06-09

Originaldocument: PMC | Score: 19.086233 | Text size: 32321 | Find: similardocuments

The ChemDiv databasewas screened using CBP-Hypo2 as a 3D query, and the best-fit hits subjected tomolecular ... HPPD inhibitors pharmacophore model molecule docking HipHop modelvirtual screeningChemDiv 1. Introduction Weeds compete with cropsfor sunshine, water, nutrients, and space, which ... having inhibitory activityagainst HPPD based on receptor, CBP-Hypo2 was used to screen the ChemDiv libraryto find potential HPPD inhibitors and Fit Value was selected as an importantcriterion. The hydrophobic groups (benzene and methyl) of the four compoundsobtained from the ChemDiv database formed hydrophobicinteractions with Met314 and Pro205, and the intermediate aromatic ring

A covalent PIN1 inhibitor selectively targets cancer cells by a dualmechanism of action

Elena Campaner; AlessandraRustighi;AlessandroZannini;AlbertoCristiani;Silvano Piazza; Yari Ciani; Ori Kalid; Gali Golan; Erkan Baloglu; Sharon Shacham; BarbaraValsasina;Ulisse Cucchi; Agnese ChiaraPippione;Marco LucioLolli;Barbara Giabbai; Paola Storici; Paolo Carloni; Giulia Rossetti; FedericaBenvenuti;Ezia Bello; MaurizioD'Incalci;ElisaCappuzzello;Antonio Rosato; Giannino Del Sal

PMC ID: PMC5472749 | DOI: 10.1038/ncomms15772 |Journal: Nature Communications, 8(1) | Publisher: NaturePublishing Group |Publication date: 2017-06-09

Originaldocument: PMC | Score: 15.963614 | Text size: 81154 | Find: similardocuments

Bionet (,Specs (, Chembridge (, ChemDiv( Enamine ( ... measurement 15 μl of Trypsin50 mg ml−1 (Sigma) and 5 μl of Suc-AEPF-MCA peptide 100 μg ml−1 (ChemDiv)in TFE LiCl 480 mM were added and the solutions mixed.

Comparative functional genomic screens of three yeast deletioncollections reveal unexpected effects of genotype in response to diverse stress

Erica Acton; Amy Huei-Yi Lee; Pei Jun Zhao; StephaneFlibotte;Mauricio Neira; Sunita Sinha; Jennifer Chiang; Patrick Flaherty; Corey Nislow; Guri Giaever

PMC ID: PMC5493772 | DOI: 10.1098/rsob.160330 |Journal: Open Biology, 7(1) | Publisher: The RoyalSociety | Publicationdate: 2017-06-07

Originaldocument: PMC | Score: 14.490094 | Text size: 61522 | Find: similardocuments

Screeningconcentrations for each compound (cisplatin (Toronto Research Chemicals), PCID16001701 (ChemDiv), CCCP (Sigma), FCCP (Sigma)) were determined byanalysing dose–response curves on wild-type

Screening of the ‘Open Scaffolds’ collection from Compounds Australiaidentifies a new chemical entity with anthelmintic activities against differentdevelopmental stages of the barber's pole worm and other parasitic nematodes

Sarah Preston; Yaqing Jiao; Jonathan B.Baell;Jennifer Keiser; Simon Crawford; Anson V. Koehler; Tao Wang; Moana M. Simpson; Ray M. Kaplan;Karla J. Cowley; Kaylene J.Simpson;Andreas Hofmann; Abdul Jabbar; Robin B. Gasser

PMC ID: PMC5517787 | DOI: 10.1016/j.ijpddr.2017.05.004 |Journal: International Journal for Parasitology: Drugs and DrugResistance, 7(1) pp. 286-294 | Publisher: Elsevier | Publication date: 2017-05-28

Originaldocument: PMC | Score: 14.363574 | Text size: 46349 | Find: similardocuments

microfilariaeof B. malayi A compound with known activity against H. contortus was purchasedfrom ChemDiv(USA) and then dissolved in DMSO to reach a stockconcentration of 30 mM, and then tested for its

In-depth Profiling of MvfR-Regulated Small Molecules in Pseudomonasaeruginosa after Quorum Sensing Inhibitor Treatment

GiuseppeAllegretta;Christine K.Maurer;Jens Eberhard; Damien Maura; Rolf W. Hartmann; Laurence Rahme; Martin Empting

PMC ID: PMC5442231 | DOI: 10.3389/fmicb.2017.00924 |Journal: Frontiers in Microbiology, 8(1) | Publisher: FrontiersMedia S.A. |Publication date: 2017-05-24

Originaldocument: PMC | Score: 14.117049 | Text size: 45945 | Find: similardocuments

Thetricyclic 3 (Figure 2) and amitriptyline were purchased from ChemDiv (UnitedStates) and Alfa Aesar (Germany), respectively.

Targeting the deubiquitinase STAMBP inhibits NALP7 inflammasome activity

Joseph S.Bednash;NathanielWeathington;James Londino; Mauricio Rojas; Dexter L. Gulick; Robert Fort; SeungHye Han; Alison C.McKelvey;Bill B. Chen; Rama K.Mallampalli

PMC ID: PMC5437278 | DOI: 10.1038/ncomms15203 |Journal: Nature Communications, 8(1) | Publisher: NaturePublishing Group |Publication date: 2017-05-11

Originaldocument: PMC | Score: 13.317075 | Text size: 66892 | Find: similardocuments

The top 10score-ranking molecules were synthesized by a contract research organization (ChemDiv)and further tested in cell based and in vitro models.

Identification of Antifungal H+-ATPase Inhibitors with Effect on PlasmaMembrane Potential

Lasse Kjellerup; Sandra Gordon; Karen O'HanlonCohrt;William DalbyBrown;Anja ThoeFuglsang;Anne-Marie L.Winther

PMC ID: PMC5487681 | DOI: 10.1128/AAC.00032-17 |ISSN: 0066-4804 | Journal: Antimicrobial Agents and Chemotherapy, 61(1) | Publisher:American Society for Microbiology | Publication date: 2017-04-24

Originaldocument: PMC | Score: 13.76273 | Text size: 53127 | Find: similardocuments

Key Organics(13,681 compounds; Cornwall, UK), ChemBridge (63,042 compounds; San Diego,CA), ChemDiv Inc. (34,000 compounds; San Diego, CA), InterBioScreen(24,072 compounds; Chernogolovka, Russia), Specs

Comparative analyses of structural features and scaffold diversity forpurchasable compound libraries

Jun Shang; Huiyong Sun; Hui Liu; Fu Chen; Sheng Tian; Peichen Pan; Dan Li; Dexin Kong; Tingjun Hou

PMC ID: PMC5400773 | DOI: 10.1186/s13321-017-0212-4 |Journal: Journal of Cheminformatics, 9(1) | Publisher: Springer International Publishing | Publication date: 2017-04-21

Originaldocument: PMC | Score: 19.467783 | Text size: 54464 | Find: similardocuments

compoundlibraries deposited in ZINC15 were chosen in the analysis, and they are Mcule,Enamine, ChemDiv, VitasM, UORSY, ChemBridge, LifeChemicals,ZelinskyInstitute, Specs, ChemicalBlock and Maybridge. ... 4,922,295 4,876,889Large, individual service Enamine 1,959,026 1,958,807 Lead-like, diverse ChemDiv1,741,8071,741,603 Selected VitasM 1,460,248 1,460,009 Novel compounds UORSY 1,301,0921,293,353 ... 105,467 964 125,082 514,422 41,024 493,990 1255 85 543 345025,788 107,898 ChemDiv 103,562 440 129,997 512,142 40,933369,011 2021 69 784 3493 21,875 93,439 ChemicalBlock 96,236 1204 ... chains(3543) is at the average level, which is still higher than those of ChemBridge(3450) and ChemDiv (3493). However, Chembridge and ChemDiv bearthe top two numbers of chains (>510,000).

Cytotoxicity of Zardaverine in Embryonal Rhabdomyosarcoma from a CostelloSyndrome Patient

Donna M.Cartledge;Katherine M.Robbins;Katherine M.Drake;Rachel Sternberg; Deborah L.Stabley;Karen W. Gripp; E. Anders Kolb; Katia Sol-Church; Andrew D. Napper

PMC ID: PMC5376947 | DOI: 10.3389/fonc.2017.00042 |Journal: Frontiers in Oncology, 7(1) | Publisher: Frontiers Media S.A. | Publicationdate: 2017-04-03

Originaldocument: PMC | Score: 13.42576 | Text size: 69015 | Find: similardocuments

followingzardaverine analogs were supplied through Ryan Scientific (Mount Pleasant, SC,USA): ChemDivD216-0257, D216-0505, and D216-0543; Life ChemicalsF1967-0306 and F1967-0458; Specs

Identification of a small molecule inhibitor that stalls splicing at anearly step of spliceosome activation

AnzhalikaSidarovich;Cindy L Will; Maria M Anokhina; Javier Ceballos; Sonja Sievers; Dmitry EAgafonov;Timur Samatov; Penghui Bao; Berthold Kastner; Henning Urlaub; Herbert Waldmann; ReinhardLührmann; Timothy W Nilsen

PMC ID: PMC5354520 | DOI: 10.7554/eLife.23533 |Journal: eLife, 6(1) | Publisher: eLifeSciences Publications, Ltd | Publicationdate: 2017-03-16

Originaldocument: PMC | Score: 16.041449 | Text size: 117036 | Find: similardocuments

pyrimidine-2,4,6(1H,3H,5H)-trione (synthesized in-house or purchased from ChemDiv,cat. no. 3679-1153) dissolved in DMSO, and were incubated at 30°C for theindicated times. ... (2277–0005), 164502 (0327–0135), 344340 (0327–0183) and344341 (0327–0199) were purchased from ChemDiv (catalog numberin parentheses) and their purity was determined by HPLC-MS prior to use.

Identification of a small molecule inhibitor that stalls splicing at anearly step of spliceosome activation

AnzhalikaSidarovich;Cindy L Will; Maria M Anokhina; Javier Ceballos; Sonja Sievers; Dmitry EAgafonov;Timur Samatov; Penghui Bao; Berthold Kastner; Henning Urlaub; Herbert Waldmann; ReinhardLührmann; Timothy W Nilsen

PMC ID: PMC5354520 | DOI: 10.7554/eLife.23533 |Journal: eLife, 6(1) | Publisher: eLifeSciences Publications, Ltd | Publicationdate: 2017-03-16

Originaldocument: PMC | Score: 15.2631445 | Text size: 4095 | Find: similardocuments

splicing andalso provide the catalogue numbers for all of the compounds that we purchasedfrom ChemDiv.

Inhibitor SBFI26 suppresses the malignant progression ofcastration-resistant PC3-M cells by competitively binding to oncogenic FABP5

Waseem Al-Jameel; Xiaojun Gou; Shiva S.Forootan;Majed Saad AlFayi;Philip S.Rudland;Farzad S.Forootan;Jiacheng Zhang; Philip A.Cornford;Syed A. Hussain; Youqiang Ke

PMC ID: PMC5458187 | DOI: 10.18632/oncotarget.16055 |Journal: Oncotarget, 8(1) pp. 31041-31056 |Publisher: Impact Journals LLC |Publication date: 2017-03-09

Originaldocument: PMC | Score: 13.996932 | Text size: 56836 | Find: similardocuments

SBFI19 (cat#5511-0235), SBFI27 (cat# 8009-7646) and SBFI31 (cat# C075-0064) were purchasedfromChemDiv, dissolved in DMSO, and stored at –20°C.

A high-throughput phenotypic screen identifies clofazimine as a potentialtreatment for cryptosporidiosis

Melissa S. Love; Federico C.Beasley;Rajiv S. Jumani; Timothy M.Wright;Arnab K.Chatterjee;Christopher D.Huston;Peter G. Schultz; Case W. McNamara; Timothy G. Geary

PMC ID: PMC5310922 | DOI: 10.1371/journal.pntd.0005373 |ISSN: 1935-2727 | Journal: PLoS Neglected Tropical Diseases, 11(1) | Publisher:Public Library of Science | Publication date: 2017-02-03

Originaldocument: PMC | Score: 13.648543 | Text size: 64131 | Find: similardocuments

powders(> 95% purity) from Selleck Chemicals, Calbiochem, Ambinter, Enzo LifeSciences, NCI, ChemDiv, or Life Chemicals.

Discovery of Novel Small Molecule Inhibitors of VEGF Expression in TumorCells Using a Cell-Based High Throughput Screening Platform

Liangxian Cao; Marla Weetall; Jenelle Bombard; Hongyan Qi; Tamil Arasu; William Lennox; Jean Hedrick; Josephine Sheedy; Nicole Risher; Peter C. Brooks; PanayiotaTrifillis;ChristopherTrotta;Young-Choon Moon; John Babiak; Neil G. Almstead; Joseph M.Colacino;Thomas W. Davis; Stuart W. Peltz; Thomas Preiss

PMC ID: PMC5161367 | DOI: 10.1371/journal.pone.0168366 |Journal: PLoS ONE, 11(1) | Publisher: PublicLibrary of Science | Publicationdate: 2016-12-16

Originaldocument: PMC | Score: 13.648543 | Text size: 62792 | Find: similardocuments

were chosenand commercially purchased from several vendors, including about 80,000compounds fromChemDiv (San Diego, CA), 30,000 from Coelacanthchemical (New Jersey), 37,000 from ChemBridge corporation

Structural Characterization and Ligand/Inhibitor Identification Provide FunctionalInsights into the Mycobacterium tuberculosis Cytochrome P450 CYP126A1*

Jude T. Chenge; Le Van Duyet; Shalini Swami; Kirsty J. McLean; Madeline E.Kavanagh;Anthony G. Coyne; Stephen E. J.Rigby;Myles R.Cheesman;Hazel M. Girvan; Colin W. Levy; Bernd Rupp; Jens P. vonKries;Chris Abell; David Leys; Andrew W. Munro

PMC ID: PMC5270475 | DOI: 10.1074/jbc.M116.748822 |ISSN: 0021-9258 | Journal: The Journal of Biological Chemistry, 292(1) pp.1310-1329|Publisher: American Society for Biochemistry and Molecular Biology | Publication date: 2016-12-08 | Print publication date: 2017-01-27

Originaldocument: PMC | Score: 15.81019 | Text size: 103371 | Find: similardocuments

wereidentified as “hits,” and the top ranking compounds were purchased, whereavailable, from ChemDiv (San Diego, CA) or Vitas M (Apeldoorn,The Netherlands). ... Medicinal Chemistry, Leibniz Institute of MolecularPharmacology (Berlin, Germany) or sourced from ChemDiv orVitas M. Bacterial growth medium (2xYT) was from Melford Laboratories (Ipswich,Suffolk, UK).

Identification of a novel Polo-like kinase 1 inhibitor that specificallyblocks the functions of Polo-Box domain

Yunyu Chen; Jing Zhang; Dongsheng Li; Jiandong Jiang; Yanchang Wang; Shuyi Si

PMC ID: PMC5352051 | DOI: 10.18632/oncotarget.13603 |Journal: Oncotarget, 8(1) pp. 1234-1246 |Publisher: Impact Journals LLC |Publication date: 2016-11-25

Originaldocument: PMC | Score: 16.279572 | Text size: 52079 | Find: similardocuments

From arandom compound library purchased from ChemDiv (20,000compounds), T521 was identified as a potent Plk1 PBD inhibitor with an IC50 of1.22±0. ... potent Plk1 PBD inhibitor from the diverse chemical libraries of20,000 small-molecule compounds (ChemDiv). Because a large amount ofT521 was needed for its characterization, we designed chemical

Three-Dimensional Biologically Relevant Spectrum (BRS-3D): ShapeSimilarity Profile Based on PDB Ligands as Molecular Descriptors

Ben Hu; Zheng-Kun Kuang; Shi-Yu Feng; Dong Wang; Song-Bing He; De-Xin Kong; James W. Gauld

PMC ID: PMC6273508 | DOI: 10.3390/molecules21111554 |Journal: Molecules, 21(1) | Publisher: MDPI | Publication date: 2016-11-17

Originaldocument: PMC | Score: 14.426556 | Text size: 67349 | Find: similardocuments

virtualscreening contained more than 300,000 drug-like or lead-like compounds derivedfrom Specs,ChemDiv, and Enamine.

Phenylphthalazines as small-molecule inhibitors of urea transporter UT-Band their binding model

Jian-hua Ran; Min Li; Weng-Ieong Tou; Tian-luo Lei; Hong Zhou; Calvin Yu-ChianChen;Bao-xue Yang

PMC ID: PMC4933761 | DOI: 10.1038/aps.2016.4 |ISSN: 1671-4083 | Journal: Acta Pharmacologica Sinica, 37(1) pp. 973-983 |Publisher:NaturePublishing Group | Publicationdate: 2016-05-30 | Print publication date: 2016-07

Originaldocument: PMC | Score: 16.524874 | Text size: 43068 | Find: similardocuments

primaryscreening was performed using a collection of 10 000 diverse, drug-likecompounds from ChemDiv, Inc (San Diego, CA, USA), and 96-wellplates containing a single compound per well (2. ... Structure-activityrelationship Approximately 160 commercially available analogs (ChemDiv Inc,San Diego, CA, USA) of active compounds identified in the primary screeningwere tested against

Ani9, A Novel Potent Small-Molecule ANO1 Inhibitor with Negligible Effecton ANO2

Yohan Seo; Ho K. Lee; Jinhong Park; Dong-kyu Jeon; Sungwoo Jo; Minjae Jo; Wan Namkung; Alexander A.Mongin

PMC ID: PMC4878759 | DOI: 10.1371/journal.pone.0155771 |Journal: PLoS ONE, 11(1) | Publisher: PublicLibrary of Science | Publicationdate: 2016-05-24

Originaldocument: PMC | Score: 16.360525 | Text size: 47331 | Find: similardocuments

Ani9 and itsanalogs were purchased from ChemDiv (San Diego, CA).Recombinant Human IL-4 was purchased from R&D systems (Minneapolis, MN).The compound collections used for screening included 54,400 drug-like moleculeswere purchased from ChemDiv.

Pharmit: interactive exploration of chemical space

Jocelyn Sunseri; David Ryan Koes

PMC ID: PMC4987880 | DOI: 10.1093/nar/gkw287 |ISSN: 0305-1048 | Journal: Nucleic Acids Research, 44(1) pp. W442-W448 |Publisher:OxfordUniversity Press | Publicationdate: 2016-04-19 | Print publication date: 2016-07-08

Originaldocument: PMC | Score: 14.951023 | Text size: 28906 | Find: similardocuments

Pharmit haspre-built libraries generated from CHEMBL21 (10), with >1.4 millioncompounds; ChemDiv(, with >1.4 millioncompounds; MolPort (, with >6.

Structure–Activity Relationship for the 4(3H)-QuinazolinoneAntibacterials

Renee Bouley; Derong Ding; Zhihong Peng; Maria Bastian; Elena Lastochkin; Wei Song; Mark A. Suckow; Valerie A.Schroeder;William R.Wolter;ShahriarMobashery;Mayland Chang

PMC ID: PMC4885108 | DOI: 10.1021/acs.jmedchem.6b00372 |ISSN: 0022-2623 | Journal: Journal of Medicinal Chemistry, 59(1) pp. 5011-5021 |Publisher: American Chemical Society | Publicationdate: 2016-04-18 | Print publication date: 2016-05-26

Originaldocument: PMC | Score: 13.648543 | Text size: 65531 | Find: similardocuments

72quinazolinone derivatives (Scheme 1), and an additional 5 compounds werepurchased from ChemDiv.

Imbalance in chemical space: How to facilitate the identification ofprotein-protein interaction inhibitors

MélaineA. Kuenemann; Céline M.Labbé; Adrien H. Cerdan; Olivier Sperandio

PMC ID: PMC4817116 | DOI: 10.1038/srep23815 |Journal: Scientific Reports, 6(1) | Publisher: NaturePublishing Group | Publication date:2016-04-01

Originaldocument: PMC | Score: 13.996932 | Text size: 70381 | Find: similar documents

fromcommercial databases BDM 39,186 Compounds from commercial databases(Asinex, ChemDiv and Enamine) Table 2 All of the names of the2D descriptors and their description.

Plasmodium falciparum Cyclic Amine Resistance Locus (PfCARL), aResistance Mechanism for Two Distinct Compound Classes

Pamela A.Magistrado;Victoria C.Corey;Amanda K. Lukens; Greg LaMonte; Erika Sasaki; Stephan Meister; Melanie Wree; ElizabethWinzeler;Dyann F. Wirth

PMC ID: PMC5109296 | DOI: 10.1021/acsinfecdis.6b00025 |Journal: ACS Infectious Diseases, 2(1) pp. 816-826 | Publisher: AmericanChemical Society | Publicationdate: 2016-03-28 | Print publication date: 2016-11-11

Originaldocument: PMC | Score: 14.2392435 | Text size: 56141 | Find: similardocuments

10(C776-3585), 11 (C776-3587), 12 (C776-3670), 13 (C776-3575), and 14 (C776-3628)were from ChemDiv, USA; quinine, atovaquone, and mefloquine were fromSigma-Aldrich, USA.

Structure-Based Drug Design of Small Molecule Peptide DeformylaseInhibitors to Treat Cancer

Jian Gao; Tao Wang; Shengzhi Qiu; Yasheng Zhu; Li Liang; Youguang Zheng; Derek J. McPhee

PMC ID: PMC6273975 | DOI: 10.3390/molecules21040396 |Journal: Molecules, 21(1) | Publisher: MDPI | Publication date: 2016-03-23

Originaldocument: PMC | Score: 16.863674 | Text size: 32414 | Find: similardocuments

the crystalstructure (3G5K) was utilized to screen the HsPDF inhibitors from theTopscience ChemDivdatabase (commercially available). ... The smallmolecule database was the ChemDiv database (commerciallyavailable) from Topscience Co.

Global Survey of Cell Death Mechanisms Reveals Metabolic Regulation ofFerroptosis

Kenichi Shimada; Rachid Skouta; Anna Kaplan; Wan Seok Yang; Miki Hayano; Scott J. Dixon; Lewis M. Brown; Carlos A.Valenzuela;Adam J. Wolpaw;Brent R.Stockwell

PMC ID: PMC4920070 | DOI: 10.1038/nchembio.2079 |ISSN: 1552-4450 | Journal: Nature chemical biology, 12(1) pp. 497-503 |Publicationdate: 2016-03-19 | Print publication date: 2016-07

Originaldocument: PMC | Score: 13.648543 | Text size: 66174 | Find: similar documents

compounds,as well as structural analogs of CIL41/70, were purchased from Asinex,ChemBridge, ChemDiv, Enamine, InterBioScreen, MayBridge, TimTec,Vitas M Labs, and Zelinsky.

Nuclear envelope expansion is crucial for proper chromosomal segregationduring a closed mitosis

Ai Takemoto; Shigehiro A.Kawashima;Juan-Juan Li; Linda Jeffery; Kenzo Yamatsugu; Olivier Elemento; Paul Nurse

PMC ID: PMC4813296 | DOI: 10.1242/jcs.181560 |ISSN: 0021-9533 | Journal: Journal of Cell Science, 129(1) pp. 1250-1259 |Publisher: The Company of Biologists Ltd | Publicationdate: 2016-03-15 | Print publication date: 2016-03-15

Originaldocument: PMC | Score: 16.524874 | Text size: 52513 | Find: similardocuments

In the end,the collection of 30 plates contained 2112 ChemDiv (San Diego,CA) compounds, 352 AMRI (Albany, NY) compounds, 5280 Enamine (Kiev, Ukraine)compounds, ... Registry Number: 53296-08-5), and Cutin-2 (CAS Registry Number:957489-42-8) were purchased from ChemDiv (San Diego, CA).

Small molecule inhibitors of the DishevelledCXXC5interaction are new drug candidates for bone anabolic osteoporosis therapy

HyunYi Kim; Sehee Choi; JiHye Yoon; Hwan Jung Lim; Hyuk Lee; Jiwon Choi; Eun Ji Ro; JungNyoung Heo; Weontae Lee; Kyoung Tai No; KangYell Choi

PMC ID: PMC4818757 | DOI: 10.15252/emmm.201505714 |ISSN: 1757-4676 | Journal: EMBO Molecular Medicine, 8(1) pp. 375-387 |Publisher: John Wileyand Sons Inc. | Publicationdate: 2016-03-03 | Print publication date: 2016-04

Originaldocument: PMC | Score: 13.996932 | Text size: 52543 | Find: similardocuments

of KoreaResearch Institute of Chemical Technology (Daejeon, Korea) or were purchasedfrom ChemDiv Inc.(San Diego, CA).

Identification of Adjuvantic Activity of Amphotericin B in a Novel,Multiplexed, Poly-TLR/NLR High-Throughput Screen

Alex C. D.Salyer;Giuseppe Caruso; Karishma K.Khetani;Lauren M. Fox; Subbalakshmi S.Malladi;Sunil A. David; SuryaprakashSambhara

PMC ID: PMC4769227 | DOI: 10.1371/journal.pone.0149848 |Journal: PLoS ONE, 11(1) | Publisher: PublicLibrary of Science | Publicationdate: 2016-02-26

Originaldocument: PMC | Score: 14.301138 | Text size: 49042 | Find: similardocuments

HighThroughput Screening laboratory which include Life Chemicals (15,040),ChemBridge (43,736), ChemDiv(56,232), Selleck Bioactives (1649),TimTec (5000), and FDA Repurposed Library (2,286) were used.

In Silico Screening, Alanine Mutation, and DFT Approaches forIdentification of NS2B/NS3 Protease Inhibitors

R. Balajee; V.Srinivasadesikan; M. Sakthivadivel; P. Gunasekaran

PMC ID: PMC4785246 | DOI: 10.1155/2016/7264080 |ISSN: 2090-2247 | Journal: Biochemistry Research International, 2016(1) | Publisher:Hindawi Publishing Corporation | Publication date: 2016-02-25 | Print publication date: 2016

Originaldocument: PMC | Score: 18.879087 | Text size: 43739 | Find: similardocuments

Ligand5PubChem −38.16 1.29 6 Ligand6 PubChem −44.67 33.89 7 Ligand7PubChem −45.83 0.1 8 Ligand8ChemDiv −48.40 15.6 9Ligand9 ChemDiv −44.21 86.7 10 Ligand10 ChemDiv −31.3432.2 11 Ligand11ChemDiv −41.67 12.5 12 Ligand12 ChemDiv −39.143.9 13 Ligand13 ChemDiv −39.09 26.4 14 Ligand14ChemDiv −51.3175.3 15 Ligand15 PubChem −42.52 0.12 16 Ligand16 PubChem −31.57 4.717 Ligand17 PubChem −35.

Structure-Based Design of an in Vivo Active Selective BRD9 Inhibitor

Laetitia J.Martin;Manfred Koegl; Gerd Bader; Xiao-LingCockcroft;Oleg Fedorov; Dennis Fiegen; ThomasGerstberger;Marco H. Hofmann; Anja F. Hohmann; Dirk Kessler; Stefan Knapp; Petr Knesl; Stefan Kornigg; SusanneMüller;Herbert Nar; Catherine Rogers; Klaus Rumpel; Otmar Schaaf;Steffen Steurer; Cynthia Tallant; Christopher R.Vakoc;Markus Zeeb; Andreas Zoephel; Mark Pearson; Guido Boehmelt; Darryl McConnell

PMC ID: PMC4885110 | DOI: 10.1021/acs.jmedchem.5b01865 |ISSN: 0022-2623 | Journal: Journal of Medicinal Chemistry, 59(1) pp. 4462-4475 |Publisher: American Chemical Society | Publicationdate: 2016-02-25 | Print publication date: 2016-05-26

Originaldocument: PMC | Score: 13.76273 | Text size: 57065 | Find: similardocuments

Compound 3is commercially available from, e.g., ChemDiv.

Targeting BRCA1- and BRCA2-deficient cells with RAD52 small moleculeinhibitors

Fei Huang; Nadish Goyal; KatherineSullivan;KritikaHanamshet;Mikir Patel; Olga M. Mazina; Charles X. Wang; W. Frank An; James Spoonamore;Shailesh Metkar; Kyle A. Emmitte; Simon Cocklin; Tomasz Skorski; Alexander V.Mazin

PMC ID: PMC4872086 | DOI: 10.1093/nar/gkw087 |ISSN: 0305-1048 | Journal: Nucleic Acids Research, 44(1) pp. 4189-4199 |Publisher:OxfordUniversity Press | Publicationdate: 2016-02-11 | Print publication date: 2016-05-19

Originaldocument: PMC | Score: 13.878843 | Text size: 52951 | Find: similardocuments

Thecompounds for confirmation analysis were purchased from Asinex Ltd., ChemBridgeCo., ChemDiv Inc, Enamine, FCH Group, Frontier Scientific ServicesInc., InterBioScreen Ltd., Life Chemicals Inc.

DDRI-9: a novel DNA damage response inhibitor that blocks mitoticprogression

Dong Wha Jun; Mihwa Hwang; Yun-Hee Kim; Kyung-Tae Kim; Sunshin Kim; Chang-Hun Lee

PMC ID: PMC4951243 | DOI: 10.18632/oncotarget.7135 |Journal: Oncotarget, 7(1) pp. 17699-17710 |Publisher: Impact Journals LLC |Publication date: 2016-02-02

Originaldocument: PMC | Score: 14.2392435 | Text size: 39331 | Find: similardocuments

(C13H10FN5O4)was provided by the Korea Chemical Bank (Daejeon, Korea) or purchased fromeitherChemDiv (La Jolla, CA, USA) or Hanchem (Daejeon, Korea).

Small molecule screen for inhibitors of expression from canonical CREBresponse element-containing promoters

Bryan Mitton; Katie Hsu; Ritika Dutta; Bruce C. Tiu; Nick Cox; Kevin G. McLure; Hee-Don Chae; Mark Smith; Elizabeth A.Eklund;David E.Solow-Cordero; Kathleen M.Sakamoto

PMC ID: PMC4890994 | DOI: 10.18632/oncotarget.7085 |Journal: Oncotarget, 7(1) pp. 8653-8662 |Publisher: Impact Journals LLC |Publication date: 2016-01-30

Original document: PMC | Score: 16.777678 | Text size: 29614 | Find: similardocuments

Thiscollection was assembled from several commercial vendors, including ChemDiv,Specs, and Chembridge, and possesses drug-like qualities [7]. ... Thesecompounds are drug-like and were assembled from various commercial sourcesincluding, ChemDiv (60 K), Specs (30 K), and Chembridge (23.5K).

CFTR Activator Increases Intestinal Fluid Secretion and Normalizes StoolOutput in a Mouse Model of Constipation

Onur Cil; Puay-Wah Phuan; Sujin Lee; Joseph Tan; Peter M. Haggie; Marc H. Levin; Liang Sun; Jay R.Thiagarajah;Tonghui Ma; Alan S. Verkman

PMC ID: PMC4844355 | DOI: 10.1016/j.jcmgh.2015.12.010 |Journal: Cellular and Molecular Gastroenterology andHepatology, 2(1) pp. 317-327| Publisher: Elsevier | Publication date: 2016-01-09

Originaldocument: PMC | Score: 16.360525 | Text size: 45259 | Find: similardocuments

wasperformed using a diverse collection of 120,000 drug-like synthetic compoundsobtained from ChemDiv, Inc (San Diego, CA) and Asinex(Winston-Salem, NC). For structure-activity analysis, 600 commerciallyavailable analogs (ChemDiv, Inc) of active compounds identified in theprimary screen were tested.

Characterization of a Novel Human-Specific STING Agonist that ElicitsAntiviral Activity Against Emerging Alphaviruses

Tina M. Sali; Kara M. Pryke; Jinu Abraham; Andrew Liu; Iris Archer; Rebecca Broeckel; Julia A.Staverosky;Jessica L. Smith; AhmedAl-Shammari;Lisi Amsler; Kayla Sheridan; Aaron Nilsen; Daniel N.Streblow;Victor R. DeFilippis; Sara Cherry

PMC ID: PMC4672893 | DOI: 10.1371/journal.ppat.1005324 |ISSN: 1553-7366 | Journal: PLoS Pathogens, 11(1) | Publisher: PublicLibrary of Science | Publicationdate: 2015-12-08

Originaldocument: PMC | Score: 12.899377 | Text size: 100799 | Find: similardocuments

Stocks ofG10 were purchased from ChemDiv.

Improving drug discovery with high-content phenotypic screens bysystematic selection of reporter cell lines

Jungseog Kang; Chien-Hsiang Hsu; Qi Wu; Shanshan Liu; Adam D. Coster; Bruce A. Posner; Steven J.Altschuler;Lani F. Wu

PMC ID: PMC4844861 | DOI: 10.1038/nbt.3419 |ISSN: 1087-0156 | Journal: Nature biotechnology, 34(1) pp. 70-77 |Publicationdate: 2015-11-10 | Print publication date: 2016-01

Originaldocument: PMC | Score: 13.996932 | Text size: 71285 | Find: similardocuments

approximatingthe chemical diversity of the 230K institutional library that was purchasedfrom ChemDiv, ChemBridge, Comgenix, and TimTek).

Discovery of Small Molecules that Inhibit the Disordered Protein, p27Kip1

Luigi I. Iconaru; David Ban; KavithaBharatham;ArvindRamanathan;Weixing Zhang; Anang A. Shelat; Jian Zuo; Richard W.Kriwacki

PMC ID: PMC4623604 | DOI: 10.1038/srep15686 |Journal: Scientific Reports, 5(1) | Publisher: NaturePublishing Group | Publicationdate:2015-10-28

Originaldocument: PMC | Score: 13.996932 | Text size: 68110 | Find: similardocuments

for Group 1and 2 molecules were used to query a database of 10,455 fragment-like moleculesfrom ChemDiv( using the FIeldScreen module inForge.

Mechanism of Action and Initial, In Vitro SAR of an Inhibitor of theShigella flexneri Virulence Regulator VirF

Anthony A.Emanuele;George A. Garcia; Nicholas JMantis

PMC ID: PMC4564171 | DOI: 10.1371/journal.pone.0137410 |Journal: PLoS ONE, 10(1) | Publisher: PublicLibrary of Science | Publicationdate: 2015-09-09

Originaldocument: PMC | Score: 14.117049 | Text size: 52411 | Find: similardocuments

(Moscow,Russia), while compounds 144092, 144143, 153578, and 24904 were purchasedfrom ChemDiv (San Diego, CA). Analogs of 19615 were purchasedthrough Aldrich Market Select (St. Louis, MO).

Chemical perturbation of an intrinsically disordered region of TFIIDdistinguishes two modes of transcription initiation

Zhengjian Zhang; Zarko Boskovic; Mahmud M Hussain; Wenxin Hu; Carla Inouye; Han-Je Kim; A KatherineAbole;Mary K Doud; Timothy A Lewis;Angela N Koehler; Stuart LSchreiber;Robert Tjian; Danny Reinberg

PMC ID: PMC4582147 | DOI: 10.7554/eLife.07777 |ISSN: 2050-084X | Journal: eLife, 4(1) | Publisher: eLifeSciences Publications, Ltd |Publication date: 2015-08-28

Originaldocument: PMC | Score: 19.331345 | Text size: 103808 | Find: similardocuments

Weidentified one compound (1, ChemDiv 7241-4207) thatreproducibly and selectively bound to both Drosophila and human TFIID (Figure... Yellow arrows denote the lead compound (1, ChemDiv 7241-4207).... We found that the commercially supplied compound 1 (ChemDiv 7241-4207)inhibited both Drosophila and human TFIID-directed transcription, but nottranscription ... transcription, but not TBP-directed transcription, by theoriginally purchased lead compound (1, ChemDiv 7241-4207). ...More specifically, ‘ChemDiv’ stands forChemDiv Inc. (SanDiego, CA); ‘Otava’ stands for Otava Ltd (Vaughan, Canada); ‘Princeton’ standsfor Princeton

Myosin 1b functions as an effector of EphB signaling to control cellrepulsion

Marie-ThérèseProspéri; PriscillaLépine; Florent Dingli; PerrinePaul-Gilloteaux; RenéMartin;Damarys Loew; Hans-JoachimKnölker; Evelyne Coudrier

PMC ID: PMC4508888 | DOI: 10.1083/jcb.201501018 |ISSN: 0021-9525 | Journal: The Journal of Cell Biology, 210(1) pp. 347-361 |Publisher:TheRockefeller University Press | Publicationdate: 2015-07-20 | Print publication date: 2015-07-20

Originaldocument: PMC | Score: 13.648543 | Text size: 68898 | Find: similardocuments

Drugtreatments 100 μm CK666 (ChemDiv,Inc.) in 0.1% DMSO, 50 μm blebbistatin (Sigma-Aldrich) in 0.3% DMSO, and 1 μm PCIP (giftfrom H.-J.

Overcoming Chemical, Biological, and Computational Challenges in theDevelopment of Inhibitors Targeting Protein-Protein Interactions

Luca Laraia; Grahame McKenzie; David R. Spring; Ashok R.Venkitaraman; David J. Huggins

PMC ID: PMC4518475 | DOI: 10.1016/j.chembiol.2015.04.019 |ISSN: 1074-5521 | Journal: Chemistry & Biology, 22(1) pp. 689-703 |Publisher: Elsevier | Publication date: 2015-06-18 | Print publication date: 2015-06-18

Originaldocument: PMC | Score: 16.44229 | Text size: 93702 | Find: similardocuments

ChemDiv, Asinex,Comminex, Life Chemicals, Otava Chemicals, and NQuix all have librariestargeted at PPIs, ... NA NA ChemDiv 125,000peptidomimetics http://www.chemdiv.

Targeted inhibition of the Shroom3–Rho kinase protein–protein interactioncircumvents Nogo66 to promote axon outgrowth

Heather MDickson;Amanda Wilbur; Ashley A Reinke; Mathew A Young; Anne B Vojtek

PMC ID: PMC4467669 | DOI: 10.1186/s12868-015-0171-5 |Journal: BMC Neuroscience, 16(1) | Publisher: BioMed Central | Publicationdate: 2015-06-16

Originaldocument: PMC | Score: 17.397476 | Text size: 49546 | Find: similardocuments

The assaywas then optimized for high-throughput screening in 384-well plates. 20,000compounds (ChemDiv) were screened in the Center for Chemical Genomics atthe University of Michigan. ... with fresh powder 32 of the 36 hits from theprimary screen were available for purchase from ChemDiv andwere diluted in DMSO and stored at −20°C. ... (10 μM,Calbiochem, San Diego, CA, USA), a ROCK 1/2 inhibitor, or CCG-17444 (25 μM of3347-0032, ChemDiv, San Diego, CA, USA), were added to CGNs inculture media [DMEM (Invitrogen) supplemented with 2%

Identification of β-hematininhibitors in the MMV Malaria Box

Kim Y. Fong; Rebecca D.Sandlin;David W. Wright

PMC ID: PMC4486462 | DOI: 10.1016/j.ijpddr.2015.05.003 |Journal: International Journal for Parasitology: Drugs and Drug Resistance, 5(1) pp.84-91 |Publisher: Elsevier | Publicationdate: 2015-06-06

Originaldocument: PMC | Score: 14.2392435 | Text size: 42195 | Find: similardocuments

Malaria Box,the additional testing was conducted using compounds purchased from ChemBridgeandChemDiv.

New Small Molecules Targeting Apoptosis and Cell Viability inOsteosarcoma

Doris Maugg; Ina Rothenaigner; Kenji Schorpp; Harish KumarPotukuchi;EberhardKorsching;Daniel Baumhoer; Kamyar Hadian; Jan Smida;MichaelaNathrath;DominiqueHeymann

PMC ID: PMC4454490 | DOI: 10.1371/journal.pone.0129058 |Journal: PLoS ONE, 10(1) | Publisher: PublicLibrary of Science | Publicationdate: 2015-06-03

Original document: PMC | Score: 13.76273 | Text size: 56891 | Find: similardocuments

The twocompounds found in the screening were obtained from ChemDiv (SanDiego, CA), and can be re-ordered using the compound IDs for A13 (compound ID:6228–2300) and

The enzyme activities of Caf1 and Ccr4 are both required fordeadenylation by the human Ccr4–Not nuclease module

Maryati Maryati; BlessingAirhihen;G. SebastiaanWinkler

PMC ID: PMC4613498 | DOI: 10.1042/BJ20150304 |ISSN: 0264-6021 | Journal: Biochemical Journal, 469(1) pp. 169-176 |Publisher: Portland Press Ltd. | Publicationdate: 2015-05-06 | Print publication date: 2015-07-01

Originaldocument: PMC | Score: 16.650314 | Text size: 42713 | Find: similardocuments

ChemDiv),NCC-00001590(N-[6-(isobutylsulfamoyl)-1,3-benzothiazol-2-yl]-2-methyl-benzamide; ChemDiv)and NCC-00039069

Structure–activity exploration of a small-molecule Lipid II inhibitor

Steven Fletcher; Wenbo Yu; Jing Huang; Steven M Kwasny; Jay Chauhan; Timothy JOpperman;Alexander DMacKerell;Erik PH de Leeuw

PMC ID: PMC4422293 | DOI: 10.2147/DDDT.S79504 |Journal: Drug Design, Development and Therapy, 9(1) pp. 2383-2394 | Publisher: Dove MedicalPress |Publicationdate: 2015-04-24

Originaldocument: PMC | Score: 18.75121 | Text size: 38458 | Find: similardocuments

ChemBridgeNo No 8005-4461 C14H16N 198.3 1,2,5-Trimethyl-4-phenylpyridinium ChemDiv NoNo 8005-4525 C14H14N3 224.3 1-Methyl-3-(1-methyl-1H-benzimidazol-2-yl)pyridinium ChemDiv NoNo 8005-4452 C14H17N2 213.3 1,2,5-Trimethyl-4-(phenylamino)pyridinium ChemDiv NoNo 0865-0038 C18H16N3 274.31,3-Dimethyl-2-(quinolin-2-yl)-1H-3,1-benzimidazol-3-lum ChemDiv NoNo 0865-0043 C14H14N 196.3 1-Methyl-2-[(E)-2-phenylethenyl]pyridinium ChemDiv NoNo 8009-7229 C23H22ClN3O 391.91-(4-Chlorophenyl)-3-methyl-4-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]-1,2-diazolin-5-one ChemDiv NoNo Z56594936 C19H18BrNO 356.

Selective activators of protein phosphatase 5 target the auto-inhibitorymechanism

VeronikaHaslbeck;Adrian Drazic; Julia M. Eckl; Ferdinand Alte; Martin Helmuth; GrzegorzPopowicz;Werner Schmidt; Frank Braun; Matthias Weiwad; Gunter Fischer; Gerd Gemmecker; Michael Sattler; Frank Striggow; Michael Groll; Klaus Richter

PMC ID: PMC4721540 | DOI: 10.1042/BSR20150042 |ISSN: 0144-8463 | Journal: Bioscience Reports, 35(1) | Publisher: PortlandPress Ltd. |Publication date: 2015-04-20

Originaldocument: PMC | Score: 17.614815 | Text size: 49370 | Find: similardocuments

NewChemistry and Discovery Chemistry Collection consisting of 10000 compounds wasobtained fromChemDiv. Substances PP5 small-molecule activator (P5SA)-1,P5SA-2, P5SA-3, P5SA-4 and P5SA-5 were purchased from ChemDiv. ...compound library consisting of 10000 compounds (New Chemistry and DiscoveryChemistry Collection, ChemDiv) was screened using a chromometricphosphatase assay with para-nitrophenyl phosphate (pNPP) as

Identification of Selective Inhibitors of the Plasmodium falciparumHexose Transporter PfHT by Screening Focused Libraries of Anti-Malarial Compounds

Diana Ortiz; W. Armand Guiguemde; Alex Johnson; Carolyn Elya; Johanna Anderson; Julie Clark; Michele Connelly; Lei Yang; Jaeki Min; Yuko Sato; R. Kiplin Guy; Scott M.Landfear;Stuart AlexanderRalph

PMC ID: PMC4404333 | DOI: 10.1371/journal.pone.0123598 |Journal: PLoS ONE, 10(1) | Publisher: PublicLibrary of Science | Publicationdate: 2015-04-20

Originaldocument: PMC | Score: 13.996932 | Text size: 51793 | Find: similardocuments

Compound 1and 10–15 were purchases from ChemDiv (San Diego, CA).

Structure- and Ligand-Based Virtual Screening Identifies New Scaffoldsfor Inhibitors of the Oncoprotein MDM2

Douglas R.Houston;Li-Hsuan Yen; Simon Pettit; Malcolm D.Walkinshaw;ManuelaHelmer-Citterich

PMC ID: PMC4401541 | DOI: 10.1371/journal.pone.0121424 |Journal: PLoS ONE, 10(1) | Publisher: PublicLibrary of Science | Publicationdate: 2015-04-17

Originaldocument: PMC | Score: 14.5541935 | Text size: 46122 | Find: similardocuments

in SDFformat of ChemBridge, Asinex, Maybridge, Enamine, LifeChemicals, Specs,InterBioScreen, ChemDivand KeyOrganics were merged.

Discovery of Novel New Delhi Metallo-β-Lactamases-1 Inhibitors by Multistep Virtual Screening

Xuequan Wang; Meiling Lu; Yang Shi; Yu Ou; Xiaodong Cheng; Horacio Bach

PMC ID: PMC4348537 | DOI: 10.1371/journal.pone.0118290 |Journal: PLoS ONE, 10(1) | Publisher: PublicLibrary of Science | Publicationdate: 2015-03-03

Originaldocument: PMC | Score: 14.363574 | Text size: 44807 | Find: similardocuments

bindingsite, 44 molecules (Table B in S1 File) were ultimately selected and purchasedfrom the ChemDiv (San Diego, CA) for experimental validationusing in vitro assays.

In silico discovery and validation of potent small-molecule inhibitorstargeting the activation function 2 site of human oestrogen receptor α

Kriti Singh; Ravi ShashiNayana Munuganti; Eric Leblanc; Yu Lun Lin; Euphemia Leung; Nada Lallous; Miriam Butler; Artem Cherkasov; Paul S Rennie

PMC ID: PMC4360945 | DOI: 10.1186/s13058-015-0529-8 |ISSN: 1465-5411 | Journal: Breast Cancer Research : BCR, 17(1) | Publisher:BioMed Central | Publication date: 2015-02-25 | Print publication date: 2015

Originaldocument: PMC | Score: 13.42576 | Text size: 75135 | Find: similardocuments

(San Diego,CA, USA; compounds VPC-16007, VPC-16003, VPC-16004, VPC-16222 andVPC-16223), ChemDiv(San Diego, CA, USA; compound VPC-16019), TimTec(Newark, DE, USA; compounds VPC-16041, VPC-16046,

A Serpin Shapes the Extracellular Environment to Prevent Influenza AVirus Maturation

Meike Dittmann; Hans-HeinrichHoffmann;Margaret A. Scull; Rachel H.Gilmore;Kierstin L. Bell; MichaelCiancanelli;Sam J. Wilson; Stefania Crotta; Yingpu Yu; Brenna Flatley; Jing W. Xiao; Jean-LaurentCasanova;Andreas Wack; Paul D. Bieniasz; Charles M. Rice

PMC ID: PMC4328142 | DOI: 10.1016/j.cell.2015.01.040 |ISSN: 0092-8674 | Journal: Cell, 160(1) pp. 631-643 |Publisher: Cell Press |Publication date: 2015-02-12 | Printpublication date: 2015-02-12

Originaldocument: PMC | Score: 13.317075 | Text size: 79183 | Find: similardocuments

Diphyllin (ChemDiv)was used to block IAV entry at 10 μM, and Ribavirin at 500 μM asreplication inhibition control,

Target validation and structure–activity analysis of a series of novelPCNA inhibitors

Kelsey LDillehay;William L Seibel; Daoli Zhao; Shan Lu; Zhongyun Dong

PMC ID: PMC4324689 | DOI: 10.1002/prp2.115 |ISSN: 2052-1707 | Journal: Pharmacology Research & Perspectives, 3(1) | Publisher:BlackWell Publishing Ltd | Publication date: 2015-02-02 | Print publication date: 2015-03

Originaldocument: PMC | Score: 14.301138 | Text size: 40221 | Find: similardocuments

SAR-15 andSAR-16 were purchased from ChemDiv (San Diego, CA).

Automated High-Content Assay for Compounds Selectively Toxic toTrypanosoma cruzi in a Myoblastic Cell Line

JulioAlonso-Padilla; Ignacio Cotillo; Jesús L.Presa;Juan Cantizani; ImanolPeña;Ana I. Bardera; Jose J.Martín; Ana Rodriguez; Genevieve Milon

PMC ID: PMC4304841 | DOI: 10.1371/journal.pntd.0003493 |ISSN: 1935-2727 | Journal: PLoS Neglected Tropical Diseases, 9(1) | Publisher:Public Library of Science | Publication date: 2015-01-23

Originaldocument: PMC | Score: 14.117049 | Text size: 52266 | Find: similardocuments

mesylate(Tocris Bioscience), hydrazide derivative PCH1 (InterBioScreen), LP10 (ChemDiv),loperamide (Enamine), posaconazole (Sheckchem.

Compounds targeting disulfide bond forming enzyme DsbB of Gram-negativebacteria

Cristina Landeta; Jessica L.Blazyk;Feras Hatahet; Brian M. Meehan; Markus Eser; Alissa Myrick; LudmilaBronstain;Shoko Minami; Holly Arnold;Na Ke; Eric J. Rubin; Barbara C. Furie; Bruce Furie; Jon Beckwith; Rachel Dutton; Dana Boyd

PMC ID: PMC4366281 | DOI: 10.1038/nchembio.1752 |ISSN: 1552-4450 | Journal: Nature chemical biology, 11(1) pp. 292-298 |Publicationdate: 2015-01-08 | Print publication date: 2015-04

Originaldocument: PMC | Score: 13.648543 | Text size: 68715 | Find: similar documents

50,374compounds from several commercial small molecule libraries (Asinex 1,ChemBridge 3, ChemDiv 4, Life Chemicals 1, and Enamine 2) andsmall libraries of known bioactive molecules and natural

Novel PDE4 Inhibitors Derived from Chinese Medicine Forsythia

Tiffany A. Coon; Alison C.McKelvey;Nate M.Weathington;Rahel L. Birru; Travis Lear; George D.Leikauf;Bill B. Chen; Min Wu

PMC ID: PMC4280171 | DOI: 10.1371/journal.pone.0115937 |Journal: PLoS ONE, 9(1) | Publisher: PublicLibrary of Science | Publicationdate: 2014-12-30

Original document: PMC | Score: 14.363574 | Text size: 34844 | Find: similardocuments

Forsythinwas from Stanford Chemicals; all other synthetic compounds were purchasedfrom ChemDiv, Inc.and Vitas-M Laboratory, Ltd. All compounds are>98% pure by HPLC.

A Novel CMKLR1 Small Molecule Antagonist Suppresses CNS AutoimmuneInflammatory Disease

Kareem L. Graham; Jian V. Zhang; SusannaLewén; Thomas M. Burke; Ton Dang; Maria Zoudilova; Raymond A. Sobel; Eugene C.Butcher;Brian A. Zabel; Michael Platten

PMC ID: PMC4249827 | DOI: 10.1371/journal.pone.0112925 |Journal: PLoS ONE, 9(1) | Publisher: PublicLibrary of Science | Publicationdate: 2014-12-01

Originaldocument: PMC | Score: 13.42576 | Text size: 68210 | Find: similardocuments

The StanfordHTBC compound library contains 130,000 diverse compounds from ChemDiv (60,000), SPECS(30,000), Chembridge (23,500), ChemRX (10,000), Microsource Sepctrum,(2,320),Enzo

Novel Imidazoline Antimicrobial Scaffold That Inhibits DNA Replicationwith Activity against Mycobacteria and Drug Resistant Gram-Positive Cocci

Kendra K. Harris; Allison Fay; Han-Guang Yan; Pratima Kunwar; Nicholas D.Socci;NarenderPottabathini; Ramakrishna R.Juventhala;Hakim Djaballah; Michael S.Glickman

PMC ID: PMC4245167 | DOI: 10.1021/cb500573z |ISSN: 1554-8929 | Journal: ACS Chemical Biology, 9(1) pp. 2572-2583 |Publisher:AmericanChemical Society | Publicationdate: 2014-09-15 | Print publication date: 2014-11-21

Originaldocument: PMC | Score: 14.301138 | Text size: 45216 | Find: similardocuments

obtainedfrom ChemBridge Research Laboratories, Biofocus, AnalytiCon Discovery, SPECS,NCI, ChemDiv, and Magellan Bioscience.

Identification of β-hematininhibitors in a high-throughput screening effort reveals scaffolds with invitro antimalarial activity

Rebecca D.Sandlin;Kim Y. Fong; Kathryn J. Wicht; Holly M. Carrell; Timothy J. Egan; David W. Wright

PMC ID: PMC4266794 | DOI: 10.1016/j.ijpddr.2014.08.002 |Journal: International Journal for Parasitology: Drugs and Drug Resistance, 4(1) pp.316-325 | Publisher: Elsevier | Publicationdate: 2014-09-11

Originaldocument: PMC | Score: 16.524874 | Text size: 44692 | Find: similardocuments

Thescreening library consisted of compounds originating from ChemBridge and ChemDiv.... in the Vanderbilt University High-Throughput Screening Facility originatedfrom ChemBridge and ChemDiv.

A broad HIV-1 inhibitor blocks envelope glycoprotein transitions criticalfor entry

Alon Herschhorn; Christopher Gu; Nicole Espy; Jonathan Richard; AndrésFinzi;Joseph G.Sodroski

PMC ID: PMC4231716 | DOI: 10.1038/nchembio.1623 |ISSN: 1552-4450 | Journal: Nature chemical biology, 10(1) pp. 845-852 |Publicationdate: 2014-08-31 | Print publication date: 2014-10

Originaldocument: PMC | Score: 13.76273 | Text size: 63676 | Find: similardocuments

were fromChembridge, San Diego, CA; compounds 613 (24), 616 (27), 620 (31) and 621 (32)were fromChemDiv, San Diego, CA.

Screening-based discovery of Aspergillus fumigatus plant-type chitinaseinhibitors

Deborah E.A.Lockhart;AlexanderSchuettelkopf; David E. Blair; Daan M.F. vanAalten

PMC ID: PMC4158421 | DOI: 10.1016/j.febslet.2014.07.015 |ISSN: 0014-5793 | Journal: Febs Letters, 588(1) pp. 3282-3290 |Publisher:ElsevierScience B.V | Publicationdate: 2014-08-25 | Print publication date: 2014-08-25

Originaldocument: PMC | Score: 14.426556 | Text size: 40879 | Find: similardocuments

Compounds 1,2, 6 and 7 (ChemBridge Corporation, San Diego, CA, USA); compounds 3, 4 and 8 (ChemDiv,San Diego, CA, USA); compounds 9 and 11 (Asinex Europe, Rijswijk, NED);compound 5 (Maybridge,

High Content Image-Based Screening of a Protease Inhibitor LibraryReveals Compounds Broadly Active against Rift Valley Fever Virus and OtherHighly Pathogenic RNA Viruses

Rajini Mudhasani; Krishna P. Kota; Cary Retterer; Julie P. Tran; Chris A.Whitehouse;Sina Bavari; Anton Simeonov

PMC ID: PMC4140764 | DOI: 10.1371/journal.pntd.0003095 |ISSN: 1935-2727 | Journal: PLoS Neglected Tropical Diseases, 8(1) | Publisher:Public Library of Science | Publication date: 2014-08-21

Originaldocument: PMC | Score: 18.981396 | Text size: 77242 | Find: similardocuments

CompoundLibrary and Reference Reagents ChemDiv was the source of theSerine/Cysteine Protease (SCP) inhibitor library used in this study. ChemDiv builtthe library using a variety of computational programs to qualify a smallmolecule as a ... For subsequent mechanism of action studies, compounds werereordered (ChemDiv, USA) at least three different times and testedindependently to ensure consistency across batches. ... Primary Screening ofthe ChemDiv Protease Inhibitor Library The ChemDiv proteaseinhibitor library was screened against RVFV strain MP12 at 20 μM in 0.5%(v/v) DMSO. ... Screening of the ChemDiv Protease InhibitorLibrary A total of 849 compounds from ChemDiv proteaseinhibitor library were used for antiviral screening.

An Allosteric Modulator of HIV-1 Protease Shows Equipotent Inhibition ofWild-Type and Drug-Resistant Proteases

Peter M.-U. Ung; James B. Dunbar; Jason E.Gestwicki;Heather A.Carlson

PMC ID: PMC4136727 | DOI: 10.1021/jm5008352 |ISSN: 0022-2623 | Journal: Journal of Medicinal Chemistry, 57(1) pp. 6468-6478 |Publisher: AmericanChemical Society | Publicationdate: 2014-07-25 | Print publication date: 2014-08-14

Originaldocument: PMC | Score: 18.065512 | Text size: 57809 | Find: similardocuments

the querysearches against academic and commercial chemical libraries: ChemBridge(2007), ChemDiv (2007), MayBridge (2007), and the CCG(2007.10) chemical libraries. ... solubility, cost, and availability from thevendors (CCG, 5 compounds; ChemBridge, 30 compounds; ChemDiv, 8compounds; MayBridge, 5 compounds). ... and libraries of three commercialvendors: ChemBridge (EXPRESS-Pick v2007, 50000 compounds), ChemDiv(2007,120000compounds), and MayBridge (v2007, 56000 compounds) chemical libraries. ... Finally, 48 compounds (5 from CCG,30 from ChemBridge, 8 from ChemDiv, and 5 from MayBridge) werepurchased for experimental testing (listed in Table S1 of

Mechanisms of Neuroblastoma Cell Growth Inhibition by CARP-1 FunctionalMimetics

Magesh Muthu; Vino T. Cheriyan; Sara Munie; Edi Levi; John Frank; Abdelkader E.Ashour;Mandip Singh; Arun K. Rishi; Surinder K.Batra

PMC ID: PMC4102511 | DOI: 10.1371/journal.pone.0102567 |Journal: PLoS ONE, 9(1) | Publisher: PublicLibrary of Science | Publicationdate: 2014-07-17

Originaldocument: PMC | Score: 13.317075 | Text size: 68438 | Find: similar documents

CFM-1, -4and -5 were obtained from ChemDiv, San Diego, and Ryan Scientific,Inc., Mt.

Discovery of a Novel Compound with Anti-Venezuelan Equine EncephalitisVirus Activity That Targets the Nonstructural Protein 2

Dong-Hoon Chung; Colleen B.Jonsson;Nichole A. Tower; Yong-Kyu Chu; Ergin Sahin; Jennifer E.Golden;James W. Noah; Chad E.Schroeder;Julie B. Sotsky; Melinda I. Sosa; Daniel E. Cramer; Sara N. McKellip; Lynn Rasmussen; E. Lucile White; Connie S.Schmaljohn;Justin G.Julander;Jeffrey M. Smith; Claire MarieFilone;John H. Connor; Yasuteru Sakurai; Robert A. Davey; Timothy L.Tellinghuisen

PMC ID: PMC4072787 | DOI: 10.1371/journal.ppat.1004213 |ISSN: 1553-7366 | Journal: PLoS Pathogens, 10(1) | Publisher: PublicLibrary of Science | Publicationdate: 2014-06-26

Originaldocument: PMC | Score: 14.117049 | Text size: 50437 | Find: similardocuments

Synthesis ofquinazolinone CID15997213 CID15997213 is commercially available from ChemDiv,Inc. (CAS# 900134-28-3); however, it was synthesized at the Universityof Kansas for the purpose of

A cell-based, high-throughput homogeneous time-resolved fluorescenceassay for the screening of potential κ-opioid receptoragonists

Yue Wang; Ming Yan; Guang-yao Zheng; Ling He; Huan Yang

PMC ID: PMC4088278 | DOI: 10.1038/aps.2014.21 |ISSN: 1671-4083 | Journal: Acta Pharmacologica Sinica, 35(1) pp. 957-966 |Publisher:NaturePublishing Group | Publication date: 2014-06-16 | Printpublication date: 2014-07

Originaldocument: PMC | Score: 14.2392435 | Text size: 41510 | Find: similardocuments

The testedcompounds were obtained from ChemDiv, Inc (San Diego, CA,USA).

Selective Chemical Inhibition of agr Quorum Sensing in Staphylococcusaureus Promotes Host Defense with Minimal Impact on Resistance

Erin K. Sully; NataliaMalachowa;Bradley O.Elmore;Susan M.Alexander;Jon K. Femling; Brian M. Gray; Frank R. DeLeo; Michael Otto; Ambrose L.Cheung;Bruce S. Edwards; Larry A. Sklar; Alexander R.Horswill;Pamela R. Hall; Hattie D.Gresham;Eric P. Skaar

PMC ID: PMC4055767 | DOI: 10.1371/journal.ppat.1004174 |ISSN: 1553-7366 | Journal: PLoS Pathogens, 10(1) | Publisher: Public Library of Science | Publicationdate: 2014-06-12

Originaldocument: PMC | Score: 13.104898 | Text size: 80402 | Find: similardocuments

sulfonyl-1H-triazolo[1,5-a] quinazolin-5-one, CID#3243271) was synthesized by ChemDiv,confirmed purified by HPLC, and stored in DMSO at −80°C.

Beta-Catenin Regulated ALDH1A1 is a Target in Ovarian Cancer Spheroids

SalvatoreCondello;Cynthia A.Morgan;Sarbajeet Nagdas; Liyun Cao; John Turek; Thomas D. Hurley; Daniela Matei

PMC ID: PMC4275429 | DOI: 10.1038/onc.2014.178 |ISSN: 0950-9232 | Journal: Oncogene, 34(1) pp. 2297-2308 |Publicationdate: 2014-06-05 | Print publication date: 2015-04-30

Originaldocument: PMC | Score: 17.397476 | Text size: 60472 | Find: similardocuments

We used anovel ALDH1A1 inhibitor (A37) identified through high throughput screening ofthe ChemDiv library and the less selective inhibitor DEAB. A37has a molecular weight of 431. ... The ALDH1A1 inhibitor (A37) was from ChemDiv (SanDiego, CA, USA), having >95% purity. ... A high-throughput screen (HTS) of64,000 compounds from the ChemDiv Corp. was performed toidentify activators and inhibitors of ALDH1A1.

A novel Aβ-fibrinogeninteraction inhibitor rescues altered thrombosis and cognitive decline inAlzheimer’s disease mice

Hyung Jin Ahn; J. FraserGlickman;Ka Lai Poon; DariaZamolodchikov; Odella C.Jno-Charles;Erin H. Norris; SidneyStrickland

PMC ID: PMC4042638 | DOI: 10.1084/jem.20131751 |ISSN: 0022-1007 | Journal: The Journal of Experimental Medicine, 211(1) pp.1049-1062|Publisher: The Rockefeller University Press | Publicationdate: 2014-06-02 | Print publication date: 2014-06-02

Originaldocument: PMC | Score: 13.648543 | Text size: 64554 | Find: similardocuments

Vendor listfor primary screening library Provider No. of compound from each provider ChemDiv 21,986Prestwick 1,110 Cerep 4,000 ChemBridge 5,000 Microsource 2,000 AMRI 50,000Biofocus

Identification of Small-Molecule Frequent Hitters from AlphaScreenHigh-Throughput Screens

Kenji Schorpp; Ina Rothenaigner; Elena Salmina; JeanetteReinshagen;Terence Low; Jara K. Brenke; JayGopalakrishnan; Igor V. Tetko; Sheraz Gul;Kamyar Hadian

PMC ID: PMC4153540 | DOI: 10.1177/1087057113516861 |ISSN: 1087-0571 | Journal: Journal of Biomolecular Screening, 19(1) pp. 715-726 |Publisher: SAGEPublications | Publicationdate: 2014-06 | Print publication date: 2014-06

Originaldocument: PMC | Score: 14.2392435 | Text size: 49966 | Find: similardocuments

library usedin the HTS campaigns was composed of compounds acquired from threeproviders—namely,ChemDiv (San Diego, CA; 10,000 compounds), EnamineLtd.

Targeting Membrane-Bound Viral RNA Synthesis Reveals Potent Inhibition ofDiverse Coronaviruses Including the Middle East Respiratory Syndrome Virus

Anna Lundin; Ronald Dijkman; TomasBergström; Nina Kann; Beata Adamiak; Charles Hannoun; Eveline Kindler; Hulda R.Jónsdóttir; Doreen Muth;Joeri Kint; Maria Forlenza; Marcel A.Müller;ChristianDrosten;Volker Thiel; Edward Trybala; Andrew Pekosz

PMC ID: PMC4038610 | DOI: 10.1371/journal.ppat.1004166 |ISSN: 1553-7366 | Journal: PLoS Pathogens, 10(1) | Publisher: PublicLibrary of Science | Publicationdate: 2014-05-29

Originaldocument: PMC | Score: 13.317075 | Text size: 80136 | Find: similar documents

Hit compoundK22 was purchased from ChemDiv (San Diego, CA; catalog number4295–0370).

Combination of 2D/3D Ligand-Based Similarity Search in Rapid VirtualScreening from Multimillion Compound Repositories. Selection and BiologicalEvaluation of Potential PDE4 and PDE5 Inhibitors

Krisztina Dobi; IstvánHajdú; BeátaFlachner;GabriellaFabó;MáriaSzaszkó; MelindaBognár; Csaba Magyar; IstvánSimon;DánielSzisz;ZsoltLőrincz; SándorCseh;GyörgyDormán

PMC ID: PMC6270928 | DOI: 10.3390/molecules19067008 |Journal: Molecules, 19(1) pp. 7008-7039 |Publisher: MDPI | Publicationdate:2014-05-28

Originaldocument: PMC | Score: 14.490094 | Text size: 53589 | Find: similardocuments

availablefrom the actual edition of the top vendor databases (~5 million compounds):ChemBridge, ChemDiv, Asinex, Enamine, IfLab, UkrOrg, AMRI, Specs,Maybridge, Interbioscreen

A Fragment-Based Method to Discover Irreversible Covalent Inhibitors ofCysteine Proteases

Stefan G.Kathman;Ziyang Xu; Alexander V.Statsyuk

PMC ID: PMC4113264 | DOI: 10.1021/jm500345q |ISSN: 0022-2623 | Journal: Journal of Medicinal Chemistry, 57(1) pp. 4969-4974 |Publisher: AmericanChemical Society | Publicationdate: 2014-05-28 | Print publication date: 2014-06-12

Originaldocument: PMC | Score: 14.5541935 | Text size: 31413 | Find: similardocuments

fromAccelrys, 94275 commercially available carboxylic acids were identified fromthe ChemBridge, ChemDiv, MayBridge, NCI, and Sigma-Aldrichlibraries using SMARTS query strings.

DNA intercalator BMH-21 inhibits RNA polymerase I independent of DNAdamage response

Laureen Colis; Karita Peltonen; Paul Sirajuddin; Hester Liu; Sara Sanders; Glen Ernst; James C. Barrow; Marikki Laiho

PMC ID: PMC4147329 | Journal: Oncotarget, 5(1) pp. 4361-4369 |Publisher: Impact Journals LLC | Publicationdate: 2014-05-26

Original document: PMC | Score: 14.301138 | Text size: 32671 | Find: similardocuments

N-[2(dimethylamino)ethyl]-12-oxo(BMH-21) was obtained from ChemDiv, verified for purity using LC/MSmass spectrometry and 1H-NMR.

Enrichment of Chemical Libraries Docked to Protein ConformationalEnsembles and Application to Aldehyde Dehydrogenase 2

Bo Wang; Cameron D.Buchman;Liwei Li; Thomas D. Hurley; Samy O. Meroueh

PMC ID: PMC4114474 | DOI: 10.1021/ci5002026 |ISSN: 1549-9596 | Journal: Journal of Chemical Information and Modeling, 54(1)pp. 2105-2116 | Publisher: AmericanChemical Society | Publicationdate: 2014-05-25 | Print publication date: 2014-07-28

Originaldocument: PMC | Score: 17.614815 | Text size: 56294 | Find: similardocuments

The negativeset consisted of 5000 randomly selected compounds from the ChemDiv librarydocked to a pocket within the target of interest. ... The 5000 randomly pickedcompounds from ChemDiv library docked to ALDH2 crystalstructure were used as the negative set to build the SVMSP model. ... A focusedset of theChemDiv commercial library64 containing 50 000 compoundswere docked to each of the 50 snapshots by

A kinetic fluorescence assay reveals unusual features of Ca++ uptake inPlasmodium falciparum-infected erythrocytes

Elizabeth MZipprer;McKinzie Neggers; Ambuj Kushwaha; KempaiahRayavara;Sanjay A Desai

PMC ID: PMC4078004 | DOI: 10.1186/1475-2875-13-184 |Journal: Malaria Journal, 13(1) pp. 184-184 |Publisher: BioMed Central |Publication date: 2014-05-18

Originaldocument: PMC | Score: 14.2392435 | Text size: 40362 | Find: similardocuments

exception ofthe specific PSAC inhibitor ISPA-28 (a dihydroisoxazole-5-carboxamidederivative from ChemDiv, San Diego, CA, USA).

The novel proteins Rng8 and Rng9 regulate the myosin-V Myo51 duringfission yeast cytokinesis

Ning Wang; Libera Lo Presti; Yi-Hua Zhu; Minhee Kang; Zhengrong Wu; Sophie G. Martin; Jian-Qiu Wu

PMC ID: PMC4018781 | DOI: 10.1083/jcb.201308146 |ISSN: 0021-9525 | Journal: The Journal of Cell Biology, 205(1) pp. 357-375 |Publisher:TheRockefeller University Press | Publicationdate: 2014-05-12 | Print publication date: 2014-05-12

Originaldocument: PMC | Score: 13.878843 | Text size: 86332 | Find: similardocuments

The Arp2/3inhibitor CK666 (ChemDiv; Nolen et al.

Potential Novel Antibiotics from HTS Targeting the Virulence-regulatingTranscription Factor, VirF, from Shigella flexneri

Anthony A.Emanuele;Nancy E. Adams; Yi-Chen Chen; Anthony T.Maurelli;George A. Garcia

PMC ID: PMC4050983 | DOI: 10.1038/ja.2014.10 |ISSN: 0021-8820 | Journal: The Journal of antibiotics, 67(1) pp. 379-386 |Publicationdate:2014-02-19 | Printpublication date: 2014-05

Originaldocument: PMC | Score: 19.076883 | Text size: 42995 | Find: similardocuments

Compoundsselected for reconfirmation screening were purchased from ChemDiv (7compounds, San Diego, CA) and Vitas-M Laboratory (3 compounds, Moscow, Russia).... Small Molecule Library A 100,000 compound library produced by ChemDiv (SanDiego, CA) was screened at the Center for Chemical Genomics (CCG, University ofMichigan Ann ... Non-cytotoxic Conc. (μM)3Bacterial GrowthInhibition4 19615 Vitas-M 14 6.25 2% @ 100 μM 144092 ChemDiv 236.25 13% @ 100 μM144143 ChemDiv 23 6.25 14% @ 100 μM 153578ChemDiv 3712.5 19% @ 100 μM24904 ChemDiv 66 50 13% @ 50 μM 1Compounds 25354, 3776,25073, 16977 and 21496 did not reconfirm and were not

Identification of Novel Serotonin Transporter Compounds by VirtualScreening

Mari Gabrielsen; RafałKurczab;Agata Siwek; MałgorzataWolak;Aina W. Ravna; Kurt Kristiansen; Irina Kufareva; Ruben Abagyan; Gabriel Nowak;ZdzisławChilmonczyk;Ingebrigt Sylte; Andrzej J.Bojarski

PMC ID: PMC3982395 | DOI: 10.1021/ci400742s |ISSN: 1549-9596 | Journal: Journal of Chemical Information and Modeling, 54(1)pp. 933-943|Publisher: American Chemical Society | Publicationdate: 2014-02-12 | Print publication date: 2014-03-24

Originaldocument: PMC | Score: 16.735006 | Text size: 51913 | Find: similardocuments

and buildingblock collections of five commercial databases were screened: Asinex,40ChemBridge,41ChemDiv,42 Enamine,43 and Life Chemicals. ... first step ofthe VS protocol, screening of the druglike subsets of the Asinex,40ChemBridge,41 ChemDiv,42 Enamine,43 and Life Chemicals44 databasesusing 2D pharmacophore-based fingerprints and

Design, Synthesis, and Structure–Activity Relationship of a Novel Seriesof GluN2C-Selective Potentiators

Sommer S. Zimmerman; Alpa Khatri; Ethel C. Garnier-Amblard; PraseedaMullasseril;Natalie L.Kurtkaya;Stefka Gyoneva; Kasper B. Hansen;Stephen F.Traynelis;Dennis C. Liotta

PMC ID: PMC3983368 | DOI: 10.1021/jm401695d |ISSN: 0022-2623 | Journal: Journal of Medicinal Chemistry, 57(1) pp. 2334-2356 |Publisher: AmericanChemical Society | Publicationdate: 2014-02-10 | Print publication date: 2014-03-27

Originaldocument: PMC | Score: 12.899377 | Text size: 127425 | Find: similardocuments

Receptors Afluorescence-based screen of 57504 compounds obtained from Asinex and ChemDiv librarieswas performed in BHK cells with inducible expression of GluN1/GluN2C receptors.

Development of Selective Inhibitors for Aldehyde Dehydrogenases Based onSubstituted Indole-2,3-diones

Ann C.Kimble-Hill;Bibek Parajuli; Che-Hong Chen; DariaMochly-Rosen; Thomas D. Hurley

PMC ID: PMC3954746 | DOI: 10.1021/jm401377v |ISSN: 0022-2623 | Journal: Journal of Medicinal Chemistry, 57(1) pp. 714-722 |Publisher:AmericanChemical Society | Publicationdate: 2014-01-20 | Print publication date: 2014-02-13

Originaldocument: PMC | Score: 17.583435 | Text size: 45337 | Find: similardocuments

this groupof compounds further, we obtained an additional 33 structurally similaranalogues from ChemDivand ChemBridge and evaluated their ability toinhibit ALDH1A1, ALDH2, and ALDH3A1 using ... The following compounds werepurchased from ChemDiv for further screening: 0764-0625,1-pentyl-2,3-dihydro-1H-indole-2,3-dione (compound 2); ... Inhibitors thatemerged from the screens were purchased from ChemBridge orChemDiv.

In Silico Discovery of Aminoacyl-tRNA Synthetase Inhibitors

Yaxue Zhao; Qingqing Meng; Linquan Bai; Huchen Zhou

PMC ID: PMC3907873 | DOI: 10.3390/ijms15011358 |Journal: International Journal of Molecular Sciences, 15(1) pp.1358-1373 | Publisher:Molecular Diversity Preservation International(MDPI) |Publicationdate: 2014-01-20

Originaldocument: PMC | Score: 14.618862 | Text size: 35215 | Find: similardocuments

When thispharmacophore was used to search the ChemDiv diversecollection database [53], thirty-one compounds were identified.

Identification of Clinically Viable Quinolinol Inhibitors of BotulinumNeurotoxin A Light Chain

DejanCaglič;Michelle C.Krutein;Kristin M. Bompiani; Deborah J.Barlow;Galit Benoni; Jeffrey C.Pelletier;Allen B. Reitz; Luke L. Lairson; Karen L.Houseknecht;Garry R. Smith; Tobin J.Dickerson

PMC ID: PMC3983388 | DOI: 10.1021/jm4012164 |ISSN: 0022-2623 | Journal: Journal of Medicinal Chemistry, 57(1) pp. 669-676 |Publisher:AmericanChemical Society | Publicationdate: 2014-01-05 | Print publication date: 2014-02-13

Originaldocument: PMC | Score: 16.60829 | Text size: 39082 | Find: similardocuments

A range ofquinolinol compounds are commercially available from ChemDiv andChemBridge small molecule repositories and were included into a screening setbased on the ... Purity of ChemDiv compounds was confirmed bythe supplier by LC/MS and NMR and had a purity of >95%.

In Vitro Evaluation of Novel Inhibitors against the NS2B-NS3 Protease ofDengue Fever Virus Type 4

Thi Thanh HanhNguyen;Sun Lee; Hsi-Kai Wang; Hsin-Yen Chen; Ying-Ta Wu; Simon C. Lin; Do-Won Kim; Doman Kim

PMC ID: PMC6269914 | DOI: 10.3390/molecules181215600 |Journal: Molecules, 18(1) pp. 15600-15612 |Publisher: MDPI | Publicationdate: 2013-12-13

Originaldocument: PMC | Score: 16.863674 | Text size: 31340 | Find: similardocuments

The NS3prodocking library comprised 300,000 compounds from ChemDiv Inc. (SanDiego, CA, USA), a commercially available compound library, was used for VS.... Sample Availability: All tested compounds are commercially availablefrom ChemDiv Inc. (San Diego, CA, USA).

PITPs as Targets for Selectively Interfering With PhosphoinositideSignaling in Cells

Aaron H. Nile; AshutoshTripathi;Peihua Yuan; Carl J. Mousley; Sundari Suresh; Iain MichaelWallace;Sweety D. Shah; Denise TeoticoPohlhaus;Brenda Temple; Corey Nislow; Guri Giaever; AlexanderTropsha;Ronald W. Davis; Robert P. StOnge;Vytas A.Bankaitis

PMC ID: PMC4059020 | DOI: 10.1038/nchembio.1389 |ISSN: 1552-4450 | Journal: Nature chemical biology, 10(1) pp. 76-84 |Publicationdate: 2013-11-24 | Print publication date: 2014-01

Originaldocument: PMC | Score: 13.878843 | Text size: 72104 | Find: similardocuments

Smallmolecule inhibitors The compounds shown in Supplementary Figure 1 werefrom ChemDiv (San Diego, CA).

Discovery of a diaminoquinoxaline benzenesulfonamide antagonist of HIV-1Nef function using a yeast-based phenotypic screen

Ronald P Trible; PurushottamNarute;Lori AEmert-Sedlak; John JeffAlvarado;Katelyn Atkins; Laurel Thomas; Toshiaki Kodama; Naveena Yanamala;VasiliyKorotchenko;Billy W Day; Gary Thomas; Thomas ESmithgall

PMC ID: PMC3874621 | DOI: 10.1186/1742-4690-10-135 |Journal: Retrovirology, 10(1) pp. 135-135 |Publisher: BioMed Central |Publication date: 2013-11-14

Originaldocument: PMC | Score: 17.869274 | Text size: 72190 | Find: similardocuments

μl) wereplated in duplicate wells of a 96-well plate in the presence of each compoundfrom the ChemDivkinase-biased inhibitor library (ChemDiv, Inc.,San Diego, CA). All compounds were initially screened at 10 μM with 0.5%DMSO as carrier solvent. ... observed with A-419259 were obtained in powderform from the provider of the original library (ChemDiv) and assayed athird time in triplicate at 1, 3, 10, and 30 μM in comparison with 5 μM A-419259.... The test compounds DQBS, 2,3-diaminoquinoxaline (ChemDiv) anddasatinib (LC Laboratories) were solubilized in DMSO and diluted into the DSFassays, followed

Turning Defense into Offense: Defensin Mimetics as Novel AntibioticsTargeting Lipid II

Kristen M.Varney;Alexandre M. J.J. Bonvin;Marzena Pazgier; Jakob Malin; Wenbo Yu; Eugene Ateh; Taiji Oashi; Wuyuan Lu; Jing Huang; MarliesDiepeveen-de Buin; Joseph Bryant; Eefjan Breukink; Alexander D.MacKerell;Erik P. H. deLeeuw;Michael Zasloff

PMC ID: PMC3820767 | DOI: 10.1371/journal.ppat.1003732 |ISSN: 1553-7366 | Journal: PLoS Pathogens, 9(1) | Publisher: Public Library of Science | Publicationdate: 2013-11-07 | Print publication date: 2013-11

Originaldocument: PMC | Score: 13.76273 | Text size: 68381 | Find: similardocuments

databases;Maybridge (Thermo Fisher Scientific Inc., Wattham, MA), ChemBridge (San Diego,CA), and ChemDiv(San Diego, CA), which contain 59676, 482276, and533143 compounds, respectively.

Wnt signaling blockage inhibits cell proliferation and migration, andinduces apoptosis in triple-negative breast cancer cells

Birdal Bilir; Omer Kucuk; Carlos S Moreno

PMC ID: PMC4228255 | DOI: 10.1186/1479-5876-11-280 |Journal: Journal of Translational Medicine, 11(1) pp. 280-280 |Publisher: BioMed Central | Publicationdate: 2013-11-04

Originaldocument: PMC | Score: 13.878843 | Text size: 47742 | Find: similardocuments

Louis, MO).iCRT-3, iCRT-5 and iCRT-14 were obtained from ChemDiv (SanDiego, CA). IWP-4 was purchased from Stemgent (San Diego, CA).

Inhibition of Pyrimidine Biosynthesis Pathway Suppresses Viral Growththrough Innate Immunity

MarianneLucas-Hourani; Daniel Dauzonne; Pierre Jorda; GaëlleCousin;Alexandru Lupan; Olivier Helynck; GrégoryCaignard;GenevièveJanvier;GwénaëlleAndré-Leroux; Samira Khiar; Nicolas Escriou; PhilippeDesprès; Yves Jacob; HélèneMunier-Lehmann; FrédéricTangy;Pierre-OlivierVidalain;Ganes C. Sen

PMC ID: PMC3789760 | DOI: 10.1371/journal.ppat.1003678 |ISSN: 1553-7366 | Journal: PLoS Pathogens, 9(1) | Publisher: PublicLibrary of Science | Publicationdate: 2013-10-03 | Print publication date: 2013-10

Originaldocument: PMC | Score: 15.963614 | Text size: 82706 | Find: similardocuments

librariesacquired through Prestwick Chemical (1,120 compounds; andChemDiv (eu.chemdiv. ... Compoundsfrom Prestwick Chemical and ChemDiv were at 2 mg/ml, whichcorresponds to 6.32±2.8 mM (Prestwick Chemical), 5.57±0.89 (CDI) and 5.35±1.

AutomiG, a Biosensor to Detect Alterations in miRNA Biogenesis and inSmall RNA Silencing Guided by Perfect Target Complementarity

ClémentCarré; CarolineJacquier;Anne-LaureBougé; Fabrice deChaumont;CorinneBesnard-Guerin; HélèneThomassin;Josette Pidoux; Bruno Da Silva; EleftheriaChalatsi;Sarah Zahra; Jean-ChristopheOlivo-Marin;HélèneMunier-Lehmann; ChristopheAntoniewski;HelenWhite-Cooper

PMC ID: PMC3760873 | DOI: 10.1371/journal.pone.0074296 |Journal: PLoS ONE, 8(1) | Publisher: PublicLibrary of Science | Publicationdate: 2013-09-03

Originaldocument: PMC | Score: 13.996932 | Text size: 54936 | Find: similardocuments

and 9360compounds (ATP-mimic library) and 4624 compounds (nucleoside-like library)from ChemDiv Inc(

Small molecule Plasmodium FKBP35 inhibitor as a potential antimalariaagent

AmaravadhiHarikishore;Makhtar Niang; Sreekanth Rajan; Peter RainerPreiser;Ho Sup Yoon

PMC ID: PMC3752609 | DOI: 10.1038/srep02501 |Journal: Scientific Reports, 3(1) | Publisher: NaturePublishing Group | Publicationdate:2013-08-26

Originaldocument: PMC | Score: 16.692554 | Text size: 46063 | Find: similardocuments

Uponscreening our in-house ADME property filtered 3D virtual database of ChemDiv commerciallibrary with this five feature structure based pharmacophore model (Fig. ...Pharmacophore screening on ChemDiv library resulted in afocused library of 13,000 molecules.

Inhibition of the Growth Factor MDK/Midkine by a Novel Small MoleculeCompound to Treat Non-Small Cell Lung Cancer

Huifang Hao; Yutaka Maeda; Takuya Fukazawa; Tomoki Yamatsuji; Munenori Takaoka; Xiao-Hong Bao; Junji Matsuoka; Tatsuo Okui; Tsuyoshi Shimo;Nagio Takigawa; Yasuko Tomono; Motowo Nakajima; Iris M.Fink-Baldauf; Sandra Nelson; William Seibel; Ruben Papoian; Jeffrey A.Whitsett;Yoshio Naomoto; Masaru Katoh

PMC ID: PMC3745462 | DOI: 10.1371/journal.pone.0071093 |Journal: PLoS ONE, 8(1) | Publisher: PublicLibrary of Science | Publicationdate: 2013-08-16

Original document: PMC | Score: 13.996932 | Text size: 40424 | Find: similardocuments

[2,1-beta][1],[3]thiazol-6-yl]-2H-chromen-2-one (hereafter iMDK) purchased from ChemDiv (SanDiego, CA) was dissolved in DMSO.

A Yeast-Based Chemical Screen Identifies a PDE Inhibitor That ElevatesSteroidogenesis in Mouse Leydig Cells via PDE8 and PDE4 Inhibition

Didem Demirbas; Arlene R. Wyman; MasamiShimizu-Albergine; Ozgur Cakici; Joseph A. Beavo; Charles S.Hoffman;Gordon Chua

PMC ID: PMC3743849 | DOI: 10.1371/journal.pone.0071279 |Journal: PLoS ONE, 8(1) | Publisher: PublicLibrary of Science | Publicationdate: 2013-08-14

Originaldocument: PMC | Score: 18.948826 | Text size: 43543 | Find: similardocuments

leu1-32cgs2-2 pap1Δars1::pNMT1-PDE8Acat Small Molecules Small molecules were purchased fromChemDiv (SanDiego, CA; BC8-15: E973-0331, BC8-15A: E881-0067, BC8-15C: C301-5319). ...School ICCB Screening facility (Asinex 1, Biomol-TimTec1, Bionet 1, Bionet 2,CEREP, ChemBridge 3, ChemDiv 1, ChemDiv2, ChemDiv 3, ChemDiv 4, ChemDiv 6,Enamine 1, Enamine 2, I.F. Lab 2, Life Chemicals 1, MayBridge 1, MayBridge 2,MayBridge 3, ... of the 63 strong hits that produced OD values of >0.6 camefrom only six libraries (ChemBridge 3, ChemDiv 3, ChemDiv 4,Enamine 1, Enamine 2, and MayBridge 3) that represented 37% of the screenedcompounds.

Small-Molecule Inhibitors of toxT Expression in Vibrio cholerae

RebeccaAnthouard;Victor J. DiRita

PMC ID: PMC3735192 | DOI: 10.1128/mBio.00403-13 |Journal: mBio, 4(1) | Publisher: AmericanSociety of Microbiology | Publicationdate:2013-08-06

Originaldocument: PMC | Score: 16.524874 | Text size: 50364 | Find: similardocuments

pyrazol-6-one]were obtained from ChemDiv (San Diego, CA). ... displayeddose-dependent activity, the 50 most potent (a low GFP/OD600 value) wereordered from ChemDiv and similarly retested for effects ongrowth and toxT transcription and for effects on CT

Inhibition of Histo-blood Group Antigen Binding as a Novel Strategy toBlock Norovirus Infections

Xu-Fu Zhang; Ming Tan; Monica Chhabra; Ying-Chun Dai; Jarek Meller; Xi Jiang; Eugene A.Permyakov

PMC ID: PMC3716607 | DOI: 10.1371/journal.pone.0069379 |Journal: PLoS ONE, 8(1) | Publisher: PublicLibrary of Science | Publicationdate: 2013-07-19

Originaldocument: PMC | Score: 14.490094 | Text size: 37822 | Find: similardocuments

( supplied by Maybridg, TimTec, ChemBridge, Pharmeks, Specs, Otava, ChemDiv,InterBioScreen Ltd, Vitas-M Laboratory, Princeton Biomolecular Research andEnamine Ltd.

Structure-based discovery of fiber-binding compounds that reduce thecytotoxicity of amyloid beta

Lin Jiang; Cong Liu; David Leibly; Meytal Landau; Minglei Zhao; Michael P Hughes; David SEisenberg;John Kuriyan

PMC ID: PMC3713518 | DOI: 10.7554/eLife.00857 |Journal: eLife, 2(1) | Publisher: eLifeSciences Publications, Ltd | Publicationdate: 2013-07-16

Originaldocument: PMC | Score: 17.724873 | Text size: 88775 | Find: similardocuments

5 ± 8ZINC28616347 BAF17 C23H25N5O2 404 Sigma-Aldrich 6 ± 3 ZINC00579168 BAF18C24H16O2 336ChemDiv 6 ± 2 ZINC02168932 BAF19 C18H14N2O6 354 ChemDiv 3± 4 ZINC01507439 BAF20 C25H19N5OS 438 ChemDiv 8 ± 4ZINC15859747 BAF21 C19H14Br2O 418 ChemDiv 6 ± 3 ZINC38206526BAF22 C21H16N2O3S2 408 Life Chemicals 3 ± 5 ZINC04496365 BAF23 C16H11ClO5S 351

Development of Dimethyl Sulfoxide Solubility Models Using 163 000Molecules: Using a Domain Applicability Metric to Select More ReliablePredictions

Igor V. Tetko; SergiiNovotarskyi;Iurii Sushko; Vladimir Ivanov; Alexander E.Petrenko;Reiner Dieden; Florence Lebon; Benoit Mathieu

PMC ID: PMC3760295 | DOI: 10.1021/ci400213d |ISSN: 1549-9596 | Journal: Journal of Chemical Information and Modeling, 53(1)pp. 1990-2000 | Publisher: AmericanChemical Society | Publicationdate: 2013-07-15 | Print publication date: 2013-08-26

Originaldocument: PMC | Score: 14.5541935 | Text size: 58439 | Find: similardocuments

A previousestimation of inconsistencies in DMSO solubility measurements has been reportedby the ChemDivcompany: a random re-evaluation of their datarevealed a 1% error rate.

Targeting Fatty Acid Binding Protein (FABP) Anandamide Transporters – ANovel Strategy for Development of Anti-Inflammatory and Anti-Nociceptive Drugs

William T.Berger;Brian P. Ralph; Martin Kaczocha; Jing Sun; Trent E. Balius; Robert C. Rizzo; SamirHaj-Dahmane;Iwao Ojima; Dale G. Deutsch;AlbericoCatapano

PMC ID: PMC3517626 | DOI: 10.1371/journal.pone.0050968 |Journal: PLoS ONE, 7(1) | Publisher: PublicLibrary of Science | Publicationdate: 2012-12-07

Originaldocument: PMC | Score: 19.39129 | Text size: 49852 | Find: similardocuments

The mostpotent inhibitor, γ-truxillicacid 1-naphthyl ester (ChemDiv 8009-2334), was determined to haveKi value of 1.19±0.01 μM. ...include: (1) Screen approximately one million compounds using a subset of theZINC [12] database (ChemDiv. ... the 48 compounds tested, 23 showed atleast 25% inhibition and 4 compounds, having the following ChemDiv ID(Stony Brook ID) numbers 5511-0235 (SB-FI-19), 8009-2334 (SB-FI-26 orSB-FI-49), 8009-7646 ... Overall, four compounds from the ChemDiv compoundlibrary were identified as potential competitive inhibitors of FABP5. The mostpotent compound, ChemDiv 8009-2334, was found to possess adiphenyl-cyclobutane core characteristic of the known natural

A phenotypic screening platform to identify small molecule modulators ofChlamydomonas reinhardtii growth, motility and photosynthesis

Simon E Alfred; AnuradhaSurendra;Chris Le; Ken Lin; Alexander Mok; Iain M Wallace; Michael Proctor; Malene L Urbanus; Guri Giaever; Corey Nislow

PMC ID: PMC3580497 | DOI: 10.1186/gb-2012-13-11-r105 |ISSN: 1465-6906 | Journal: Genome Biology, 13(1) pp. R105-R105 |Publisher:BioMedCentral | Publicationdate: 2012-11-18 | Print publication date: 2012

Originaldocument: PMC | Score: 16.60829 | Text size: 52782 | Find: similardocuments

that wecollated based on yeast growth inhibition from ChemBridge (NOVACore and DIVERSet)and ChemDiv(Divers) collections [38] (Table S2 in Additional file2). ... yeast actives set derived from ChemBridge (NOVACore and DIVERSet, SanDiego, CA, USA) and ChemDiv (Divers, San Diego, CA, USA), andtwo stock plates from ChemBridge (NOVACore, San Diego, CA, USA).

Identification of Small Molecules That Suppress Ricin-InducedStress-Activated Signaling Pathways

Paul G. Wahome; Sarita Ahlawat; Nicholas J.Mantis;Ludger Johannes

PMC ID: PMC3486792 | DOI: 10.1371/journal.pone.0049075 |Journal: PLoS ONE, 7(1) | Publisher: PublicLibrary of Science | Publicationdate: 2012-11-01

Originaldocument: PMC | Score: 18.140217 | Text size: 41649 | Find: similardocuments

pure compoundsfrom the commercially available chemical libraries (Actimol TimTec,Bionet, ChemDiv, CEREP, Enamine, I.F. Lab, Maybridge, and Peakdale)was performed at the National Screening ... cell-based assay at the NSRB toscreen more than 118,000 compounds in the Actimol TimTec, Bionet, ChemDiv,CEREP, Enamine, I. F. Lab, Maybridge, and Peakdale libraries for inhibitors ofricin toxin [16]. ... 9 PW69 6-oxo-N-(1-phenylbutan-2-yl)-5H-benzo[b][1], [4]benzothiazepine-3-carboxamide 6623219b ChemDiv 23 PW69B 6-oxo-N-(4-phenylbutan-2-yl)-5H-benzo[b][1],[4] benzothiazepine-3-carboxamide 20885127b ChemDiv 22 PW721-[3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,

Structure and Activity Analysis of Inauhzin Analogs as Novel AntitumorCompounds That Induce p53 and Inhibit Cell Growth

Qi Zhang; Derong Ding; Shelya X. Zeng; Qi-Zhuang Ye; Hua Lu; Hirofumi Arakawa

PMC ID: PMC3480348 | DOI: 10.1371/journal.pone.0046294 |Journal: PLoS ONE, 7(1) | Publisher: PublicLibrary of Science | Publicationdate: 2012-10-24

Originaldocument: PMC | Score: 13.996932 | Text size: 50141 | Find: similardocuments

Materialsand Methods Compounds S1–S34 INZ analogs S1–S34 were purchased fromAsinex, ChemDiv and ChemBridge.

Identification of Fungicidal 2,6-Disubstituted Quinolines with Activityagainst Candida Biofilms

Nicolas Delattin; DorothéeBardiot;Arnaud Marchand; Patrick Chaltin; Katrijn DeBrucker;Bruno P. A.Cammue;Karin Thevissen

PMC ID: PMC6268363 | DOI: 10.3390/molecules171012243 |Journal: Molecules, 17(1) pp. 12243-12251 |Publisher: MDPI | Publicationdate: 2012-10-18

Originaldocument: PMC | Score: 14.684109 | Text size: 21705 | Find: similardocuments

(18) werepurchased from ChemDiv (San Diego, CA, USA). Synthesis of theamide derivatives has been described previously [14].

Anti-Cancer Activity of a Novel Small Molecule Compound ThatSimultaneously Activates p53 and Inhibits NF-κB Signaling

Sun Gwan Hwang; Jinah Park; Joo Young Park; Cheol HyoungPark;Ki-Ho Lee; Jeong Woo Cho; Jong-Ik Hwang; Jae Young Seong; Aamir Ahmad

PMC ID: PMC3441512 | DOI: 10.1371/journal.pone.0044259 |Journal: PLoS ONE, 7(1) | Publisher: PublicLibrary of Science | Publicationdate: 2012-09-13

Originaldocument: PMC | Score: 13.878843 | Text size: 49359 | Find: similardocuments

compoundlibrary consisted of 200,000 chemicals provided by the ChemBridge (San Diego,CA, USA),ChemDiv (San Diego, CA, USA), and Asinex (Moscow, Russia)chemical libraries.

Mining collections of compounds with Screening Assistant 2

Vincent LeGuilloux;Alban Arrault; LionelColliandre;StéphaneBourg;Philippe Vayer; Luc Morin-Allory

PMC ID: PMC3547782 | DOI: 10.1186/1758-2946-4-20 |Journal: Journal of Cheminformatics, 4(1) pp. 20-20 |Publisher: BioMed Central |Publication date: 2012-08-31

Originaldocument: PMC | Score: 14.74994 | Text size: 65469 | Find: similardocuments

ChemDiv (CU=54.97%,SU=45.23% and FU=31.49%).

ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals andCompounds with Potential Adverse Reactions

Iurii Sushko; Elena Salmina; Vladimir A.Potemkin;Gennadiy Poda; Igor V. Tetko

PMC ID: PMC3640409 | DOI: 10.1021/ci300245q |ISSN: 1549-9596 | Journal: Journal of Chemical Information and Modeling, 52(1)pp. 2310-2316 | Publisher: AmericanChemical Society | Publicationdate: 2012-08-10 | Print publication date: 2012-08-27

Originaldocument: PMC | Score: 18.995876 | Text size: 34364 | Find: similardocuments

ToxAlertsplatform, we virtually screened screening libraries from three providers ofchemicals: ChemDiv (, LifeChemicals (, and Enamine ( www.enamine. ... by the company and builtaround 2181 original templates.21 The largest compound library was from ChemDiv andcontained almost 400 000 chemical structures available in stock from thiscompany. ... and Set of Structural Alerts from Three Different Providersprovideralertsscreening compounds ChemDiv alerts 100 391145Life Chemicals alerts 72 343949 Enamine alerts 108 228899 Screening Results The... Results for Three Compound Libraries and DrugBank against Three Sets ofStructural Alertsa ChemDiv compounds Life Chemicals compoundsEnamine compounds DrugBank compounds alerts settotal

Diverse Inhibitor Chemotypes Targeting Trypanosoma cruzi CYP51

Shamila S.Gunatilleke;Claudia M.Calvet;Jonathan B.Johnston;Chiung-KuangChen;Grigori Erenburg; Jiri Gut; Juan C. Engel; Kenny K. H. Ang;Joseph Mulvaney; Steven Chen; Michelle R.Arkin;James H.McKerrow;Larissa M.Podust;Michael P.Pollastri

PMC ID: PMC3409115 | DOI: 10.1371/journal.pntd.0001736 |ISSN: 1935-2727 | Journal: PLoS Neglected Tropical Diseases, 6(1) | Publisher:Public Library of Science | Publication date: 2012-07-31

Originaldocument: PMC | Score: 16.279572 | Text size: 67554 | Find: similardocuments

consistingof 103,986 diverse small molecules purchased from ChemBridge (San Diego,California), ChemDiv(San Diego, California) and SPECS (Delft,Netherlands) was screened against recombinant T. cruzi ...{α-[(4-methylcyclohexyl)carbonylamino]-N-4-pyridinyl-1H-indole-3-propanamide}purchased from ChemDiv (#C155-0123) (San Diego, California), referenced previously as LP-10 [14], [23],[26], was used as

Development of a High-Throughput Assay for Identifying Inhibitors of TBK1and IKKε

Jessica E. Hutti; Melissa A.Porter;Adam W. Cheely; Lewis C. Cantley; Xiaodong Wang; Dmitri Kireev; Albert S.Baldwin;William P.Janzen;Edward Harhaj

PMC ID: PMC3408500 | DOI: 10.1371/journal.pone.0041494 |Journal: PLoS ONE, 7(1) | Publisher: PublicLibrary of Science | Publicationdate: 2012-07-30

Original document: PMC | Score: 14.618862 | Text size: 34916 | Find: similardocuments

than 100Kcompounds were initially reviewed in the form of SD files from LifeChemicals, ChemDiv, Asinex and Enamine.

Antidiarrheal efficacy of a quinazolin CFTR inhibitor on human intestinalepithelial cell and in mouse model of cholera

JenvitPatanayindee; ChatchaiMuanprasat;SunhapasSoodvilai;VaranujChatsudthipong

PMC ID: PMC3480796 | DOI: 10.4103/0253-7613.100392 |ISSN: 0253-7613 | Journal: Indian Journal of Pharmacology, 44(1) pp. 619-623 |Publisher: MedknowPublications & Media Pvt Ltd | Publicationdate: 2012 | Print publication date: 2012

Originaldocument: PMC | Score: 14.5541935 | Text size: 22203 | Find: similardocuments

(UT, USA);carbachol, amiloride, and amphotericin B from Sigma-Aldrich (MO, USA); and DQAfrom ChemDiv(CA, USA).

Characterization of Plasmodium falciparum Adenylyl Cyclase-β and Its Role in Erythrocytic Stage Parasites

Eric Salazar; Erin M. Bank; Nicole Ramsey; Kenneth C. Hess; Kirk W. Deitsch; Lonny R. Levin; Jochen Buck; Stuart AlexanderRalph

PMC ID: PMC3383692 | DOI: 10.1371/journal.pone.0039769 |Journal: PLoS ONE, 7(1) | Publisher: PublicLibrary of Science | Publicationdate: 2012-06-26

Originaldocument: PMC | Score: 14.301138 | Text size: 42743 | Find: similardocuments

of WeillMedical College of Cornell University, and other KH7-like compounds werepurchased from ChemDiv(San Diego, CA).

Arp2/3 complex–dependent actin networks constrain myosin II function indriving retrograde actin flow

Qing Yang; Xiao-Feng Zhang; Thomas D.Pollard;Paul Forscher

PMC ID: PMC3384413 | DOI: 10.1083/jcb.201111052 |ISSN: 0021-9525 | Journal: The Journal of Cell Biology, 197(1) pp. 939-956 |Publisher:TheRockefeller University Press | Publicationdate: 2012-06-25 | Print publication date: 2012-06-25

Originaldocument: PMC | Score: 13.42576 | Text size: 75678 | Find: similardocuments

CK666 waspurchased from ChemDiv, Inc. CK689, CK869, CK312,blebbistatin, and Y27632 were purchased from EMD.

A Novel Small Molecule Inhibitor of Influenza A Viruses that TargetsPolymerase Function and Indirectly Induces Interferon

Mila BrumOrtigoza;Oliver Dibben; Jad Maamary; LuisMartinez-Gil; Victor H.Leyva-Grado;Pablo Abreu; Juan Ayllon; Peter Palese; Megan L. Shaw;Kanta Subbarao

PMC ID: PMC3343121 | DOI: 10.1371/journal.ppat.1002668 |ISSN: 1553-7366 | Journal: PLoS Pathogens, 8(1) | Publisher: PublicLibrary of Science | Publicationdate: 2012-04-26 | Print publication date: 2012-04

Originaldocument: PMC | Score: 18.045282 | Text size: 83571 | Find: similardocuments

Scientific,Mount Pleasant, SC), Chembridge 3 (10,560 compounds; ChemBridge Corp., SanDiego, CA),ChemDiv 2 (8,560 compounds; ChemDiv, Inc.,San Diego, CA), ChemDiv 4 (1,320 compounds; ChemDiv,Inc., San Diego, CA), Enamine 2 (26,576 compounds; ENAMINE Ltd. ...compounds; Maybridge Ltd., Trevillett, England), Mixed Commercial Plate 5 (268compounds from ChemDiv and Maybridge libraries), Peakdale 2(352 compounds; Peakdale Molecular Ltd.

IspE Inhibitors Identified by a Combination of In Silico and In VitroHigh-Throughput Screening

NaomiTidten-Luksch; RaffaellaGrimaldi;Leah S. Torrie; Julie A.Frearson;William N.Hunter;Ruth Brenk; RamónCampos-Olivas

PMC ID: PMC3340893 | DOI: 10.1371/journal.pone.0035792 |Journal: PLoS ONE, 7(1) | Publisher: PublicLibrary of Science | Publicationdate: 2012-04-25

Originaldocument: PMC | Score: 13.878843 | Text size: 66500 | Find: similardocuments

was ordered fromMaybridge (Fisher Scientific UK Ltd, Leicestershire, UK), compounds 2 and 3from ChemDiv(San Diego, USA), compounds 4, 7, 9, 11, 12, 13 fromEnamine Ltd.

The EYA Tyrosine Phosphatase Activity Is Pro-Angiogenic and Is Inhibitedby Benzbromarone

EmmanuelTadjuidje;Tim Sen Wang; Ram NareshPandey;Saulius Sumanas; Richard A. Lang; Rashmi S. Hegde; Justin Kumar

PMC ID: PMC3335822 | DOI: 10.1371/journal.pone.0034806 |Journal: PLoS ONE, 7(1) | Publisher: PublicLibrary of Science | Publicationdate: 2012-04-24

Original document: PMC | Score: 13.878843 | Text size: 54067 | Find: similardocuments

L129305) andcompounds 1b–1j from ChemDiv (cat. nos.

A small molecule Inauhzin inhibits SIRT1 activity and suppresses tumourgrowth through activation of p53

Qi Zhang; Shelya X Zeng; Yu Zhang; Yiwei Zhang; Derong Ding; Qizhuang Ye; Samy O Meroueh; Hua Lu

PMC ID: PMC3376857 | DOI: 10.1002/emmm.201100211 |ISSN: 1757-4676 | Journal: EMBO Molecular Medicine, 4(1) pp. 298-312 |Publisher: WILEY-VCHVerlag |Publicationdate: 2012-04 | Print publication date: 2012-04

Originaldocument: PMC | Score: 15.963614 | Text size: 72194 | Find: similardocuments

our initialcomputational screening of half a million of commercially available compoundsfrom the ChemDivchemical library, we selected and purchased 50 topcandidates. ... compounds for the cell-based screen, INZ and its analogues werepurchased from Asinex, ChemDiv and ChemBridge.

Identification of Novel Mt-Guab2 Inhibitor Series Active against M.tuberculosis

VeeraraghavanUsha;Judith V.Hobrath;Sudagar S.Gurcha;Robert C.Reynolds;Gurdyal S. Besra; Anil Kumar Tyagi

PMC ID: PMC3315515 | DOI: 10.1371/journal.pone.0033886 |Journal: PLoS ONE, 7(1) | Publisher: PublicLibrary of Science | Publicationdate: 2012-03-29

Originaldocument: PMC | Score: 18.756086 | Text size: 61499 | Find: similar documents

hits listedin Figure S3 that are available from Life Chemicals and a single compoundfrom ChemDiv. ... was purchased from the commercial vendorsChembridge (Chembridge set), Life Chemicals and ChemDiv (LifeChemicals set) and were used as supplied from the vendors without furthercharacterization or ... Life Chemicals compound set, consisting of seventeencompounds from Life Chemicals and one from ChemDiv. ... (UC) 71.3(UC) 6.70 >5.97 3 F2536-1573 79.0 (UC) 55.0 (UC) 1.02 6.68 >128 Compound1499-0691 fromChemDiv is also included in this set. ... Of theeighteen hits from the Life Chemicals and ChemDiv compoundset, seven compounds exhibited antimycobacterial activity against M. smegmatis,four of

A Chemical Screen Probing the Relationship between Mitochondrial Contentand Cell Size

Toshimori Kitami; David J. Logan; Joseph Negri; Thomas Hasaka; Nicola J.Tolliday;Anne E.Carpenter;Bruce M.Spiegelman;Vamsi K. Mootha;Yidong Bai

PMC ID: PMC3315575 | DOI: 10.1371/journal.pone.0033755 |Journal: PLoS ONE, 7(1) | Publisher: PublicLibrary of Science | Publicationdate: 2012-03-29

Original document: PMC | Score: 14.618862 | Text size: 31623 | Find: similardocuments

Commercial compounds:3520 drug-like libraries from TimTec, Maybridge, and ChemDiv.

Structure-Based Virtual Screening for Drug Discovery: a Problem-CentricReview

Tiejun Cheng; Qingliang Li; Zhigang Zhou; Yanli Wang; Stephen H.Bryant

PMC ID: PMC3282008 | DOI: 10.1208/s12248-012-9322-0 |Journal: The AAPS Journal, 14(1) pp. 133-141 |Publisher: Springer US |Publication date: 2012-01-27

Originaldocument: PMC | Score: 14.684109 | Text size: 51086 | Find: similardocuments

56,000 WOMBAT Commercial 263,000 ChemDivCommercial 1.5 million ChemNavigator Commercial 55.3 million http://www.

Defective CFTR-Dependent CREB Activation Results in ImpairedSpermatogenesis and Azoospermia

Wen Ming Xu; Jing Chen; Hui Chen; Rui Ying Diao; Kin Lam Fok; Jian Da Dong; Ting Ting Sun; Wen Ying Chen; Mei Kuen Yu; Xiao Hu Zhang; Lai Ling Tsang; Ann Lau; Qi Xian Shi; Qing Hua Shi; Ping Bo Huang; Hsiao Chang Chan; Irina Agoulnik

PMC ID: PMC3090391 | DOI: 10.1371/journal.pone.0019120 |Journal: PLoS ONE, 6(1) | Publisher: PublicLibrary of Science | Publication date: 2011-05-09

Originaldocument: PMC | Score: 14.117049 | Text size: 61054 | Find: similar documents

In someexperiment groups, 10 μM CFTRinh172(Sigma), 10 μM KH7 (ChemDiv),50 ng recombinant FSH were added to the media.

Anticancer activity of the iron facilitator LS081

Zhen Li; Hiroki Tanaka; Floyd Galiano; Jonathan Glass

PMC ID: PMC3077325 | DOI: 10.1186/1756-9966-30-34 |ISSN: 0392-9078 | Journal: Journal of Experimental & Clinical Cancer Research: CR, 30(1) pp. 34-34 | Publisher: BioMedCentral | Publicationdate: 2011-03-31

Originaldocument: PMC | Score: 16.44229 | Text size: 43845 | Find: similardocuments

The chemicallibraries were obtained from ChemDiv (San Diego, CA) andTimTec (Newark, DE). ... In the initial screening of the compounds obtained from ChemDiv thirtycompounds exhibited negative values for Δ Fn, i.e. Δ Fn <-50% and were therefore defined as

Identification of Human IKK-2 Inhibitors of Natural Origin (Part I):Modeling of the IKK-2 Kinase Domain, Virtual Screening and Activity Assays

Esther Sala; Laura Guasch; JustynaIwaszkiewicz; Miquel Mulero; Maria-JosepaSalvadó; MontserratPinent;Vincent Zoete; AurélienGrosdidier;SantiagoGarcia-Vallvé; OlivierMichielin;Gerard Pujadas; Vladimir Uversky

PMC ID: PMC3044726 | DOI: 10.1371/journal.pone.0016903 |Journal: PLoS ONE, 6(1) | Publisher: PublicLibrary of Science | Publicationdate: 2011-02-24

Originaldocument: PMC | Score: 14.363574 | Text size: 71781 | Find: similardocuments

this sense,the results of the present study outperform those of a recent in silico surveyon the ChemDivdatabase (http://us.chemdiv.

Essential Metabolites of Mycobacterium tuberculosis and Their Mimics

Gyanu Lamichhane; Joel S.Freundlich;Sean Ekins; NilukaWickramaratne; Scott T. Nolan; William R.Bishai

PMC ID: PMC3031304 | DOI: 10.1128/mBio.00301-10 |Journal: mBio, 2(1) | Publisher: AmericanSociety of Microbiology | Publicationdate:2011-02-01

Originaldocument: PMC | Score: 14.2392435 | Text size: 56556 | Find: similardocuments

50 Bleomycin57 MIC=0.1 μg/ml CDDdatabase Hydroxymethylbilane ChemDiv 4286-0015d 45 IC50=3.38μMc CDDdatabase Porfimer 45 CDD database a Examples of biomolecules

Modular Chemical Descriptor Language (MCDL): Stereochemical modules

Andrei A Gakh; Michael NBurnett;Sergei VTrepalin;Alexander VYarkov

PMC ID: PMC3042968 | DOI: 10.1186/1758-2946-3-5 |Journal: Journal of Cheminformatics, 3(1) pp. 5-5 |Publisher: BioMed Central |Publication date: 2011-01-31

Originaldocument: PMC | Score: 14.783076 | Text size: 43276 | Find: similardocuments

Thefollowing differences were found in non-stereo testing of 20,000-records inthe ChemDiv database [26]: 1. Porphyrines.

Development and evaluation of human AP endonuclease inhibitors inmelanoma and glioma cell lines

M Z Mohammed; V N Vyjayanti; C A Laughton; L V Dekker; P M Fischer; D M Wilson; R Abbotts; S Shah; P M Patel; I D Hickson; S Madhusudan

PMC ID: PMC3049581 | DOI: 10.1038/sj.bjc.6606058 |ISSN: 0007-0920 | Journal: British Journal of Cancer, 104(1) pp. 653-663 |Publisher:NaturePublishing Group | Publicationdate: 2011-01-25 | Print publication date: 2011-02-15

Originaldocument: PMC | Score: 13.878843 | Text size: 53367 | Find: similardocuments

(Braunschweig,Germany), Enamine Ltd. (Kiev, Ukraine), Specs Chemicals (Delft, theNetherlands), ChemDiv Inc. (San Diego, CA, USA),Ukrorgsynthesis Ltd (Kiev, Ukraine) and Sigma-Aldrich.

Identification of a Chemical That Inhibits the Mycobacterial UvrABCComplex in Nucleotide Excision Repair†

Nayef Mazloum; Melanie A.Stegman;Deborah L.Croteau;Bennett VanHouten;Nyoun Soo Kwon; Yan Ling; CaitlynDickinson;Aditya Venugopal;Mohammad AtifTowheed;Carl Nathan

PMC ID: PMC3042777 | DOI: 10.1021/bi101674c |ISSN: 0006-2960 | Journal: Biochemistry, 50(1) pp. 1329-1335 |Publisher: American Chemical Society | Publicationdate: 2011-01-14 | Print publication date: 2011-03-01

Originaldocument: PMC | Score: 14.363574 | Text size: 42116 | Find: similardocuments

High-ThroughputScreening Thirty-eight thousand compounds with drug-like properties from ChemDiv andChembridge were screened at the Rockefeller University-Weill Cornell MedicalCollege High

A novel small molecule target in human airway smooth muscle for potentialtreatment of obstructive lung diseases: a staged high-throughput biophysicalscreening

Steven S An; Peter S Askovich; Thomas IZarembinski;Kwangmi Ahn; John M Peltier; Moritz vonRechenberg;SudhirSahasrabudhe; Jeffrey JFredberg

PMC ID: PMC3034681 | DOI: 10.1186/1465-9921-12-8 |ISSN: 1465-9921 | Journal: Respiratory Research, 12(1) pp. 8-8 |Publisher: BioMed Central | Publicationdate: 2011-01-13 | Print publication date: 2011

Originaldocument: PMC | Score: 14.426556 | Text size: 38390 | Find: similardocuments

58,019structurally diverse chemical compounds were obtained from ChemBridge (SanDiego, CA) andChemDiv (San Diego, CA).

An Efficient New Route to Dihydropyranobenzimidazole Inhibitors of HCVReplication

Matthew A.Parker;Emily Satkiewicz; Thomas Hermann; B. MikaelBergdahl

PMC ID: PMC6259416 | DOI: 10.3390/molecules16010281 |Journal: Molecules, 16(1) pp. 281-290 |Publisher: MDPI | Publicationdate:2010-12-30

Original document: PMC | Score: 14.74994 | Text size: 24925 | Find: similardocuments

LeRoyLafferty for NMR support, and ChemDiv, Inc., for a generousdonation of equipment and supplies.

Chemical genetics approach to restoring p27Kip1 reveals novel compoundswith antiproliferative activity in prostate cancer cells

ElizabethRico-Bautista; Chih-Cheng Yang; Lifang Lu; Gregory P Roth; Dieter A Wolf

PMC ID: PMC3025922 | DOI: 10.1186/1741-7007-8-153 |Journal: BMC Biology, 8(1) pp. 153-153 |Publisher: BioMed Central | Publicationdate: 2010-12-23

Originaldocument: PMC | Score: 13.317075 | Text size: 77402 | Find: similardocuments

SMIP0019 waspurchased from ChemDiv, Inc (CA, USA).

Targeting the OB-Folds of Replication Protein A with Small Molecules

Victor J.Anciano Granadillo; Jennifer N.Earley;Sarah C. Shuck; Millie M.Georgiadis;Richard W. Fitch; John J. Turchi

PMC ID: PMC3005895 | DOI: 10.4061/2010/304035 |ISSN: 2090-0201 | Journal: Journal of Nucleic Acids, 2010(1) | Publisher: SAGE-HindawiAccess to Research | Publicationdate: 2010-12-06

Originaldocument: PMC | Score: 14.117049 | Text size: 41167 | Find: similardocuments

SMIs wasidentified from screening and analysis of structure activity relationships(SARs) of the ChemDiv library [12].

IKKβ inhibitor identification: amulti-filter driven novel scaffold

Shanthi Nagarajan; Hyunah Choo; Yong Seo Cho; Kye Jung Shin; Kwang-Seok Oh; Byung Ho Lee; Ae Nim Pae

PMC ID: PMC2957683 | DOI: 10.1186/1471-2105-11-S7-S15 |Journal: BMC Bioinformatics, 11(1) pp. S15-S15 |Publisher: BioMed Central |Publication date: 2010-10-15

Originaldocument: PMC | Score: 17.805475 | Text size: 36287 | Find: similardocuments

virtualscreening (VS) technique has been applied to identify IKKβ inhibitorsfrom the ChemDiv database with 0.7 million compounds. ...investigation, we have applied various computational models sequentially tovirtually screen the ChemDiv database, and identified a smallmolecule that has an IC50 value of 20.3μM. ... Virtual Screening Byusing the above mentioned models, we have been able to filter the ChemDiv database,that has approximately 0.7 million compounds (Fig. 3).

Gene Annotation and Drug Target Discovery in Candida albicans with aTagged Transposon Mutant Collection

Julia Oh; Eula Fung; Ulrich Schlecht; Ronald W. Davis; Guri Giaever; Robert P. St.Onge;AdamDeutschbauer; Corey Nislow; Scott G. Filler

PMC ID: PMC2951378 | DOI: 10.1371/journal.ppat.1001140 |ISSN: 1553-7366 | Journal: PLoS Pathogens, 6(1) | Publisher: PublicLibrary of Science | Publicationdate: 2010-10-07 | Print publication date: 2010-10

Originaldocument: PMC | Score: 13.76273 | Text size: 87594 | Find: similardocuments

Drugscreening A diversity library was obtained from ChemDiv, Inc. anddissolved in DMSO.

Navigating the Human Metabolome for Biomarker Identification and Designof Pharmaceutical Molecules

IreneKouskoumvekaki; GianniPanagiotou

PMC ID: PMC2948926 | DOI: 10.1155/2011/525497 |ISSN: 1110-7243 | Journal: Journal of Biomedicine and Biotechnology, 2011(1) |Publisher: Hindawi Publishing Corporation | Publicationdate: 2010-09-28 | Print publication date: 2011

Originaldocument: PMC | Score: 17.21541 | Text size: 86538 | Find: similardocuments

drugs fromDrugBank v.2, as well as for a randomly selected subset of 59,025 compoundsfrom ChemDiv, a commercial provider of small compounds for drugdiscovery HTS. ... On the other hand, only 182 compounds from the subsetof ChemDiv were found similar to any human metabolite, formingjust 1,563 similarity pairs in total. This low similarity of ChemDiv couldbe attributed to the fact that HTS databases contain small molecules withsimple structures

Identification of Novel p53 Pathway Activating Small-Molecule CompoundsReveals Unexpected Similarities with Known Therapeutic Agents

Karita Peltonen; Laureen Colis; Hester Liu; SariJäämaa; Henna M. Moore; JuuliaEnbäck;Pirjo Laakkonen; Anne Vaahtokari; Richard J. Jones; Taija M. afHällström; Marikki Laiho; Joseph AlanBauer

PMC ID: PMC2946317 | DOI: 10.1371/journal.pone.0012996 |Journal: PLoS ONE, 5(1) | Publisher: PublicLibrary of Science | Publicationdate: 2010-09-27

Original document: PMC | Score: 13.996932 | Text size: 49987 | Find: similardocuments

Cells wereplated at 10,000 cells/well onto 96-well plates and treated at 3 μM (ChemDiv,Tripos) or 10 μM (SpectrumCollection) compound concentration for 24 h. Mock treatment (DMSO

Combinations of Physiologic Estrogens with Xenoestrogens Alter ERKPhosphorylation Profiles in Rat Pituitary Cells

Yow-Jiun Jeng; Cheryl S. Watson

PMC ID: PMC3018487 | DOI: 10.1289/ehp.1002512 |ISSN: 0091-6765 | Journal: Environmental Health Perspectives, 119(1) pp. 104-112 |Publisher: NationalInstitute of Environmental Health Sciences | Publication date: 2010-09-22 | Print publication date: 2011-01

Originaldocument: PMC | Score: 14.363574 | Text size: 46540 | Find: similardocuments

TheG-protein–coupled ER (GPER) agonist G1 was a gift from Chemdiv Inc. (SanDiego, CA) arranged by E. Prossnitz.

Reconstruction and flux-balance analysis of the Plasmodium falciparummetabolic network

GermánPlata;Tzu-Lin Hsiao; Kellen LOlszewski;ManuelLlinás; Dennis Vitkup

PMC ID: PMC2964117 | DOI: 10.1038/msb.2010.60 |Journal: Molecular Systems Biology, 6(1) pp. 408-408 |Publisher: Nature Publishing Group | Publicationdate: 2010-09-07

Originaldocument: PMC | Score: 16.360525 | Text size: 85455 | Find: similardocuments

Thecompounds 1_03 and 3_02 were acquired from ChemDiv (; ChemDiv IDs8003-6329 and 5350-0029, respectively) and resuspended at 100 mM in DMSO.

Discovery of a Novel Chemical Class of mGlu5 Allosteric Ligands withDistinct Modes of Pharmacology

Alexis S.Hammond;Alice L.Rodriguez;Steven D.Townsend;Colleen M. Niswender; Karen J. Gregory; Craig W. Lindsley; P. Jeffrey Conn

PMC ID: PMC2957851 | DOI: 10.1021/cn100051m |ISSN: 1948-7193 | Journal: ACS Chemical Neuroscience, 1(1) pp. 702-716 |Publisher:AmericanChemical Society | Publicationdate: 2010-08-19

Originaldocument: PMC | Score: 13.648543 | Text size: 65341 | Find: similardocuments

ScreeningCenter compound collection was obtained from ChemBridge Corporation (San Diego,CA) andChemDiv, Inc. (San Diego, CA). l-Glutamate and MPEP wereobtained from Tocris Bioscience (Ellisville, MO).

Binding of Protein Kinase Inhibitors to Synapsin I Inferred fromPair-Wise Binding Site Similarity Measurements

Enrico DeFranchi;Claire Schalon; Mirko Messa; Franco Onofri; Fabio Benfenati; Didier Rognan; Floyd Romesberg

PMC ID: PMC2922380 | DOI: 10.1371/journal.pone.0012214 |Journal: PLoS ONE, 5(1) | Publisher: PublicLibrary of Science | Publicationdate: 2010-08-16

Original document: PMC | Score: 14.2392435 | Text size: 55498 | Find: similardocuments

San Diego,CA), 70159800251 (Otava, kiev, Ukraine), H-89 (LC Laboratories, Woburn, MA),4072–7730 (ChemDiv, San Diego, CA), R59022 and novobiocin (MPBiochemicals, Illkirch, France) and last CCT018059

Identification of Small Molecule Inhibitors of Clostridium perfringens ε-Toxin Cytotoxicity Using a Cell-BasedHigh-Throughput Screen

Michelle Lewis; Charles DavidWeaver;Mark S. McClain

PMC ID: PMC2922765 | DOI: 10.3390/toxins2071825 |Journal: Toxins, 2(1) pp. 1825-1847 |Publisher: MDPI | Publicationdate: 2010-07-09

Originaldocument: PMC | Score: 18.45006 | Text size: 48439 | Find: similardocuments

compoundsrepresents a diverse subset of the >1 million member inventories of twocompanies, ChemDivand ChemBridge. Each chemical is dissolved at aconcentration of 10 mM in dimethylsulfoxide. Confirmed hits and theirstructural analogs were acquired from commercial sources (ChemDiv,ChemBridge, and Specs) as dry powders and dissolved in DMSO. ... VanderbiltInstitute of Chemical Biology HTS facility has chemical libraries from twosources, ChemDiv and ChemBridge. The 151,616 chemicalsscreened in this assay are representative of the chemical diversity of thelarger ChemDiv and ChemBridge compound collections.

Inhibition of receptor tyrosine kinase signalling by small moleculeagonist of T-cell protein tyrosine phosphatase

Elina Mattila; Heidi Marttila; Niko Sahlberg; Pekka Kohonen; SiriTähtinen; Pasi Halonen; MerjaPerälä; Johanna Ivaska

PMC ID: PMC2820462 | DOI: 10.1186/1471-2407-10-7 |Journal: BMC Cancer, 10(1) pp. 7-7 |Publisher: BioMed Central | Publicationdate:2010-01-07

Originaldocument: PMC | Score: 18.470776 | Text size: 41249 | Find: similardocuments

DiscoverySystems, LOPAC (Library of Pharmacologically Active Compounds) 1280 fromSigma, ChemDiv fromChemDiv Inc., ChemBridge fromChemBridge Corporation, and Tripos from Tripos International. ... compounds,LOPAC1280 with 1280 pharmaceutically active compounds, Tripos with 6000 compounds,ChemDiv with25000 compounds and ChemBridge with 30000 compounds were screened in an invitro phosphatase ... LibraryCompoundsPrimary hitsConfirmed activators Tripos6000 5 1 ChemDiv 25000 23 1 ChemBridge 30000 167 0 MicrosourceSpectrum 2000 16 2 Sigma Lopac 1280 2 2 Total 64280 ... Five small moleculelibraries, the Spectrum Collection, LOPAC1280, ChemDiv, ChemBridgeand Tripos were screened for TCPTP activators.

Generation of 500-Member Library of10-Alkyl-2-R1,3-R2-4,10-DihydrobenzoDihydrobenzo[4,5]imidazo[1,2-a]pyrimidin-4-ones

Svetlana M. Sirko; Nikolay Yu.Gorobets;Vladimir I.Musatov;Sergey M.Desenko

PMC ID: PMC6254725 | DOI: 10.3390/molecules14125223 |Journal: Molecules, 14(1) pp. 5223-5234 |Publisher: Molecular Diversity Preservation International | Publication date: 2009-12-15

Originaldocument: PMC | Score: 14.951023 | Text size: 25352 | Find: similardocuments

AcknowledgementsWe thank ChemDiv, Inc. San Diego, CA, USA for supporting thiswork.

Molecular Mechanism for Human Sperm Chemotaxis Mediated by Progesterone

Maria E. Teves; Hector A.Guidobaldi;Diego R.Uñates; Raul Sanchez; Werner Miska; Stephen J.Publicover;Aduén A.Morales Garcia; Laura C.Giojalas;Immo A. Hansen

PMC ID: PMC2782141 | DOI: 10.1371/journal.pone.0008211 |Journal: PLoS ONE, 4(1) | Publisher: PublicLibrary of Science | Publicationdate: 2009-12-08

Originaldocument: PMC | Score: 13.996932 | Text size: 55740 | Find: similardocuments

USA); HumanSerum Albumin (UNC, Argentina); Nifedipine, 2-APB (Calbiochem, Germany); KH7 (ChemDiv,USA); mouse monoclonal anti-phosphotyrosine, clone 4G10 (UPSTATE, USA); rabbitpolyclonal

Physiochemical property space distribution among human metabolites, drugsand toxins

Varun Khanna; ShobaRanganathan

PMC ID: PMC2788350 | DOI: 10.1186/1471-2105-10-S15-S10 |Journal: BMC Bioinformatics, 10(1) pp. S10-S10 |Publisher: BioMed Central |Publication date: 2009-12-03

Originaldocument: PMC | Score: 16.524874 | Text size: 56456 | Find: similardocuments

set ofmolecules from NPs obtained from four databases namely BioSPECS natural productdatabase,ChemDiv natural product database, Interbioscreeen IBS2001Nand HTS-NC database, drugs obtained from ... obtained from (MayBridge HTSdatabase, ChemBridge EXPRESS-Pick database ComGenex Collection,ChemDiv Collectionand SPECS screening compound database).

Translocation Biosensors – Cellular System Integrators to DissectCRM1-Dependent Nuclear Export by Chemicogenomics

Verena Fetz; Shirley K.Knauer;Carolin Bier; Jens Peter vonKries;Roland H.Stauber

PMC ID: PMC3274152 | DOI: 10.3390/s90705423 |Journal: Sensors (Basel, Switzerland), 9(1) pp. 5423-5445 |Publisher: Molecular Diversity Preservation International (MDPI) | Publication date: 2009-07-09

Originaldocument: PMC | Score: 13.996932 | Text size: 58089 | Find: similardocuments

Compoundswere purchased from ChemDiv (San Diego, CA, USA) and dissolvedin DMSO (50 mM).

Zebrafish chemical screening reveals an inhibitor of Dusp6 that expandscardiac cell lineages

Gabriela Molina; Andreas Vogt; Ahmet Bakan; Weixiang Dai; Pierre Queirozde Oliveira;Wade Znosko; Thomas E.Smithgall;Ivet Bahar; John S. Lazo; Billy W. Day; Michael Tsang

PMC ID: PMC2771339 | DOI: 10.1038/nchembio.190 |ISSN: 1552-4450 | Journal: Nature chemical biology, 5(1) pp. 680-687 |Publicationdate: 2009-07-05 | Print publication date: 2009-09

Originaldocument: PMC | Score: 14.117049 | Text size: 44421 | Find: similar documents

the NaturalProducts library (MicroSource Discovery Systems Inc.) and Phosphatase targetedset (ChemDiv Inc.) were screened in this study.

Small-Molecule Activators of Insulin-Degrading Enzyme Discovered throughHigh-Throughput Compound Screening

ChristelleCabrol;Malwina A.Huzarska;ChristopherDinolfo;Maria C.Rodriguez;Lael Reinstatler; Jake Ni; Li-An Yeh; Gregory D. Cuny; Ross L. Stein;Dennis J. Selkoe; Malcolm A.Leissring;Andreas Hofmann

PMC ID: PMC2668070 | DOI: 10.1371/journal.pone.0005274 |Journal: PLoS ONE, 4(1) | Publisher: PublicLibrary of Science | Publicationdate: 2009-04-22

Originaldocument: PMC | Score: 14.363574 | Text size: 39120 | Find: similardocuments

(Ilkirch,France), Specs and Biospecs (CP Rijswijk, the Netherlands), ENAMINE (Kiev,Ukraine), and ChemDiv(San Diego, CA). Ia1 and Ia2 were purchasedfrom Bionet. SP1 was synthesized by SynPep Corp.

Chemical Probes that Competitively and Selectively Inhibit Stat3Activation

Xuejun Xu; Moses M.Kasembeli;Xueqing Jiang; Benjamin J.Tweardy;David J. Tweardy; Harald H. H. W.Schmidt

PMC ID: PMC2653189 | DOI: 10.1371/journal.pone.0004783 |Journal: PLoS ONE, 4(1) | Publisher: PublicLibrary of Science | Publicationdate: 2009-03-10

Originaldocument: PMC | Score: 16.44229 | Text size: 53112 | Find: similardocuments

Commercialchemical databases (ChemBridge, Asinex, ChemDiv, Enamine,KeyOrganics and LifeChemicals) were chosen as sources of compounds forscreening in ... The databases searched included ChemBridge, LifeChemicals,Enamine, ChemDiv, Asinex, AcbBlocks, KeyOrganics and PubChem for atotal of 2.47 million compounds.

Trypanosoma cruzi CYP51 Inhibitor Derived from a Mycobacteriumtuberculosis Screen Hit

Chiung-KuangChen;Patricia S.Doyle;Liudmila V.Yermalitskaya; Zachary B.Mackey;Kenny K. H. Ang; James H. McKerrow; Larissa M.Podust;Greg Matlashewski

PMC ID: PMC2629123 | DOI: 10.1371/journal.pntd.0000372 |ISSN: 1935-2727 | Journal: PLoS Neglected Tropical Diseases, 3(1) | Publisher:Public Library of Science | Publication date: 2009-02-03

Originaldocument: PMC | Score: 17.646307 | Text size: 42398 | Find: similardocuments

DataCollection, and Determination of Crystal Structure Five compounds (Fig. 2),purchased from ChemDiv (San Diego, California) were used for co-crystallizationwith the CYP51Mt C37L/C442A double mutant. ... structures and bindingaffinities of compounds. 1Compounds are identified by the numbers in the ChemDiv,Inc., product library catalog. 10.1371/journal.pntd.0000372.t001 Table 1Crystallographic data and statistics. Compound # Compound 8 Compound 9 Compound11 ChemDiv # 4596-0233 C155-0065 C155-0337 PDB ID 2W0B 2W092W0A Data collection Wavelength, Å 1.0000 1.0000

Golgicide A reveals essential roles for GBF1 in Golgi assembly andfunction

Jose B. Saenz; William J. Sun; Jae Won Chang; Jinmei Li; Badry Bursulaya; Nathanael S.Gray;David B. Haslam

PMC ID: PMC3500152 | DOI: 10.1038/nchembio.144 |ISSN: 1552-4450 | Journal: Nature chemical biology, 5(1) pp. 157-165 |Publicationdate: 2009-02-01 | Print publication date: 2009-03

Originaldocument: PMC | Score: 13.996932 | Text size: 47015 | Find: similar documents

characterizationof GCA GCA was identified from a commercial compound library availablefrom ChemDiv.

Glucose and GLP-1 Stimulate cAMP Production via Distinct AdenylylCyclases in INS-1E Insulinoma Cells

Lavoisier S.Ramos;Jonathan HaleZippin;Margarita Kamenetsky; Jochen Buck; Lonny R. Levin

PMC ID: PMC2518727 | DOI: 10.1085/jgp.200810044 |ISSN: 0022-1295 | Journal: The Journal of General Physiology, 132(1) pp. 329-338 |Publisher: The RockefellerUniversity Press | Publicationdate: 2008-09 | Print publication date: 2008-09

Originaldocument: PMC | Score: 14.117049 | Text size: 47594 | Find: similardocuments

KH7 wassynthesized by ChemDiv, Inc. or by the Milstein Chemical CoreFacility of Weill Medical College of Cornell University.

Identification of Small Molecule Inhibitors of Pseudomonas aeruginosaExoenzyme S Using a Yeast Phenotypic Screen

Anthony Arnoldo; Jasna Curak; SaranyaKittanakom;Igor Chevelev; Vincent T. Lee; MehdiSahebol-Amri; Becky Koscik; Lana Ljuma; Peter J. Roy;Antonio Bedalov; Guri Giaever; Corey Nislow; Rod A. Merrill; Stephen Lory; Igor Stagljar; Michael Snyder

PMC ID: PMC2265467 | DOI: 10.1371/journal.pgen.1000005 |ISSN: 1553-7390 | Journal: PLoS Genetics, 4(1) | Publisher: PublicLibrary of Science | Publicationdate: 2008-02-29 | Print publication date: 2008-02

Originaldocument: PMC | Score: 13.536236 | Text size: 68024 | Find: similardocuments

Sigma-Aldrich),the SPECTRUM library (2,000 compounds, MicroSource Discovery Inc.) and a ChemDiv library(53,000 compounds) were screened at a final concentration of 50 μM.

Calcium-sensing soluble adenylyl cyclase mediates TNF signal transductionin human neutrophils

Hyunsil Han; AlexanderStessin;Julia Roberts; Kenneth Hess; Narinder Gautam; MargaritaKamenetsky;Olivia Lou; Edward Hyde; Noah Nathan;William A.Muller;Jochen Buck; Lonny R. Levin; Carl Nathan

PMC ID: PMC2213086 | DOI: 10.1084/jem.20050778 |ISSN: 0022-1007 | Journal: The Journal of Experimental Medicine, 202(1) pp.353-361 |Publisher: The Rockefeller University Press | Publicationdate: 2005-08-01 | Print publication date: 2005-08-01

Originaldocument: PMC | Score: 13.996932 | Text size: 46151 | Find: similardocuments

A collectionof 15,000 compounds with drug-like characteristics from ChemDiv Labswas screened robotically in the High Throughput Screening Facility at TheRockefeller

Discovery of Glycine Hydrazide Pore-occluding CFTR Inhibitors

ChatchaiMuanprasat;N.D. Sonawane; Danieli Salinas; AlessandroTaddei;Luis J.V.Galietta;A.S. Verkman

PMC ID: PMC2229623 | DOI: 10.1085/jgp.200409059 |ISSN: 0022-1295 | Journal: The Journal of General Physiology, 124(1) pp. 125-137 |Publisher: TheRockefeller University Press | Publicationdate: 2004-08 | Print publication date: 2004-08

Originaldocument: PMC | Score: 13.536236 | Text size: 54001 | Find: similardocuments

molecules(most 250–550 D) were selected for screening from commercial sources(ChemBridge andChemDiv) using algorithms designed to maximize chemicaldiversity and drug-like properties.

Structural model of nicotinic acetylcholine receptor isotypes bound toacetylcholine and nicotine

MatthieuSchapira;Ruben Abagyan; Maxim Totrov

PMC ID: PMC65631 | DOI: 10.1186/1472-6807-2-1 |Journal: BMC Structural Biology, 2(1) pp. 1-1 |Publisher: BioMed Central | Publicationdate: 2002-01-18

Originaldocument: PMC | Score: 17.77341 | Text size: 28361 | Find: similardocuments

be specificfor beta2-containing nAChR subtypes, we searched a database of over 200,000compounds (ChemDiv Inc., San Diego, CA), for alpha4-beta2 ligandcandidates presenting a functional group close to Ala 135 ... ligand wassimilar than the grid docking previously described [21]: each flexible ligandof the ChemDivpublic library (ChemDiv Inc., San Diego) wasdocked automatically into the combination of potential maps described above,and

Identification of new potent A1 adenosine receptor antagonists using amultistage virtual screening approach

Yu Wei; Mukuo Wang; Yang Li; Zhangyong Hong; Dongmei Li; Jianping Lin

DOI: 10.1016/j.ejmech.2019.111936 |ISSN: 1768-3254,0223-5234 | Journal: European journal of medicinal chemistry, 187 pp.111936-111936 | Publisher: EditionsScientifiques Elsevier | Publication date: 2019-12-04 | Printpublication date: 2019-12-04

Originaldocument: Medline | Score: 21.96154 | Text size: 2134 | Find: similardocuments

ChemDiv library(1,492,362 compounds).

Identification of peptidomimetic compounds as potential inhibitorsagainst MurA enzyme of Mycobacterium tuberculosis

Prateek Kumar; Kumar UditSaumya;Rajanish Giri

DOI: 10.1080/07391102.2019.1696231 |ISSN: 1538-0254,0739-1102 | Journal: Journal of biomolecular structure & dynamics, pp.1-17|Publisher: Taylor & Francis | Publicationdate: 2019-12-04 | Print publication date: 2019-12-04

Originaldocument: Medline | Score: 25.324753 | Text size: 1964 | Find: similardocuments

strategy, wehave designed this study where two libraries of peptidomimetic compounds(Asinex & ChemDiv) were first screened against our modeled MurAstructure and then validated through molecular dynamic simulations. From ourvirtual screening, top four compounds (ChemDiv: D675-0102, D675-0217;Asinex: BDE25373574, BDE 26717803) were selected based on their docking

A Chemosensory GPCR as a Potential Target to Control the Root-KnotNematode Meloidogyne incognita Parasitism in Plants

Emmanuel Bresso; Diana Fernandez; Deisy X Amora; Philippe Noel; Anne-SophiePetitot;Maria-EugêniaLisei de Sa;Erika V SAlbuquerque;Etienne G J Danchin; Bernard Maigret; Natália FMartins

PMC ID: PMC6832152 | DOI: 10.3390/molecules24203798 |ISSN: 1420-3049,1420-3049 | Journal: Molecules (Basel, Switzerland), 24(20) |Publisher: MDPI | Publicationdate: 2019-10-22 | Print publication date: 2019-10-22

Originaldocument: Medline | Score: 22.316162 | Text size: 1604 | Find: similardocuments

selectedmolecules allowed the identification of an active compound, namely C260-2124,from the ChemDivprovider, which can serve as a starting point forfurther investigations.

Structural optimization on a virtual screening hit of smoothened receptor

Shiwei Song; Jinyi Jiang; Li Zhao; Qin Wang; Wenfeng Lu; Chaonan Zheng; Jie Zhang; Haikuo Ma; Sheng Tian; Jiyue Zheng; Lusong Luo; Youyong Li;Zeng-Jie Yang; Xiaohu Zhang

DOI: 10.1016/j.ejmech.2019.03.057 |ISSN: 1768-3254,0223-5234 | Journal: European journal of medicinal chemistry, 172 pp. 1-15 |Publisher: EditionsScientifiques Elsevier | Publicationdate: 2019-03-26 | Print publication date: 2019-06-15

Originaldocument: Medline | Score: 21.122412 | Text size: 2638 | Find: similardocuments

The mostpotent compound (ChemDiv ID C794-1677: 47 nM) showed comparable Hhsignaling inhibition to the marketed drug vismodegib (46

Chemical Space Overlap with Critical Protein-Protein Interface Residuesin Commercial and Specialized Small-Molecule Libraries

Yubing Si; David Xu; KhuchtumurBum-Erdene;Mona K Ghozayel; Baocheng Yang; Paul A Clemons; Samy O Meroueh

DOI: 10.1002/cmdc.201800537 |ISSN: 1860-7187,1860-7179 | Journal: ChemMedChem, 14(1) pp. 119-131 |Publisher: Wiley-VCH |Publication date: 2018-12-20 | Printpublication date: 2019-01-08

Originaldocument: Medline | Score: 20.804443 | Text size: 3341 | Find: similardocuments

ChemDiv), acollection of diversity-oriented synthesis (DOS) compounds that containsnatural-product-like

Identification of a novel c-Myc inhibitor with antitumor effects onmultiple myeloma cells

Ruosi Yao; Xiaoyang Sun; Yu Xie; Xiaoshen Sun; Yao Yao; Hujun Li; Zhenyu Li; Jian Gao; Kailin Xu

PMC ID: PMC6146296 | DOI: 10.1042/BSR20181027 |ISSN: 1573-4935,0144-8463 | Journal: Bioscience reports, 38(5) | Publisher: PortlandPress on behalf of the Biochemical Society | Publication date: 2018-09-19 | Print publication date: 2018-10-31

Originaldocument: Medline | Score: 21.285069 | Text size: 1980 | Find: similardocuments

ChemDiv compounddatabase by molecular docking-based, high-throughput virtual screening.

Discovery of potent and novel smoothened antagonists via structure-basedvirtual screening and biological assays

Wenfeng Lu; Dihua Zhang; Haikuo Ma; Sheng Tian; Jiyue Zheng; Qin Wang; Lusong Luo; Xiaohu Zhang

DOI: 10.1016/j.ejmech.2018.05.035 |ISSN: 1768-3254,0223-5234 | Journal: European journal of medicinal chemistry, 155 pp. 34-48 |Publisher: EditionsScientifiques Elsevier | Publicationdate: 2018-05-23 | Print publication date: 2018-07-15

Originaldocument: Medline | Score: 20.649023 | Text size: 3052 | Find: similardocuments

moleculardocking-based virtual screening was conducted to identify promising Smoantagonists fromChemDiv library.

Adversarial Threshold Neural Computer for Molecular de Novo Design

Evgeny Putin; Arip Asadulaev; QuentinVanhaelen;Yan Ivanenkov; Anastasia VAladinskaya;Alex Aliper; Alex Zhavoronkov

DOI: 10.1021/acs.molpharmaceut.7b01137 |ISSN: 1543-8392,1543-8384 | Journal: Molecular pharmaceutics, 15(10) pp. 4386-4397 |Publisher: AmericanChemical Society | Publicationdate: 2018-03-30 | Print publication date: 2018-10-01

Originaldocument: Medline | Score: 22.316162 | Text size: 2231 | Find: similardocuments

The SMILESrepresentations of 15K druglike molecules from the ChemDiv collectionwere used as a training data set. For the different functions, ATNC outperformsORGANIC.

Virtual Screening of Small Molecular Inhibitors against DprE1

Gang Zhang; Song Guo; Huaqing Cui; Jianguo Qi

PMC ID: PMC6017230 | DOI: 10.3390/molecules23030524 |ISSN: 1420-3049,1420-3049 | Journal: Molecules (Basel, Switzerland), 23(3) |Publisher: MDPI | Publicationdate: 2018-02-27 | Print publication date: 2018-02-27

Originaldocument: Medline | Score: 21.87464 | Text size: 1534 | Find: similardocuments

ChemDiv datasetthrough virtual screening based on pharmacophore and molecular docking.

Discovery of non-peptidic small molecule inhibitors of cyclophilin D asneuroprotective agents in Aβ-inducedmitochondrial dysfunction

Insun Park; Ashwini M Londhe; Ji Woong Lim; Beoung-Geon Park; Seo Yun Jung; Jae Yeol Lee; Sang Min Lim; Kyoung Tai No; Jiyoun Lee; Ae Nim Pae

DOI: 10.1007/s10822-017-0067-9 |ISSN: 1573-4951,0920-654X | Journal: Journal of computer-aided molecular design, 31(10) pp.929-941 |Publisher: Springer | Publicationdate: 2017-09-14 | Print publication date: 2017-10

Originaldocument: Medline | Score: 20.804443 | Text size: 2674 | Find: similardocuments

structure ofCypD-cyclosporine A (CsA) complex and performed virtual screening of ChemDiv database,which yielded forty-five potential hit compounds with novel scaffolds.

In silico probing and biological evaluation of SETDB1/ESET-targeted novelcompounds that reduce tri-methylated histone H3K9 (H3K9me3) level

Insun Park; Yu Jin Hwang; TaeHun Kim; Ambily Nath InduViswanath;Ashwini M Londhe; Seo Yun Jung; Kyoung Mi Sim; Sun-Joon Min; Ji Eun Lee;Jihye Seong; Yun Kyung Kim; Kyoung Tai No; Hoon Ryu; Ae Nim Pae

DOI: 10.1007/s10822-017-0052-3 |ISSN: 1573-4951,0920-654X | Journal: Journal of computer-aided molecular design, 31(10) pp.877-889 |Publisher: Springer | Publicationdate: 2017-09-06 | Print publication date: 2017-10

Originaldocument: Medline | Score: 21.122412 | Text size: 2508 | Find: similardocuments

pharmacophoremodel was built and employed for the virtual screening of ChemDiv andAsinex database.

Fusion of Structure and Ligand Based Methods for Identification of NovelCDK2 Inhibitors

Priya Mahajan; Gousia Chashoo; Monika Gupta; Amit Kumar; Parvinder PalSingh;Amit Nargotra

DOI: 10.1021/acs.jcim.7b00293 |ISSN: 1549-960X,1549-9596 | Journal: Journal of chemical information and modeling, 57(8)pp. 1957-1969 |Publisher: American Chemical Society | Publicationdate: 2017-08-03 | Print publication date: 2017-08-28

Originaldocument: Medline | Score: 21.533804 | Text size: 2024 | Find: similardocuments

A druglikelibrary of 50,000 compounds from ChemDiv and ChemBridgedatabases was screened against CDK2, and 110 compounds were identified usingthe

3D Pharmacophore-Based Virtual Screening and Docking Approaches towardthe Discovery of Novel HPPD Inhibitors

Ying Fu; Yi-Na Sun; Ke-Han Yi; Ming-Qiang Li; Hai-Feng Cao; Jia-Zhong Li; Fei Ye

PMC ID: PMC6152767 | DOI: 10.3390/molecules22060959 |ISSN: 1420-3049,1420-3049 | Journal: Molecules (Basel, Switzerland), 22(6) |Publisher: MDPI | Publicationdate: 2017-06-09 | Print publication date: 2017-06-09

Originaldocument: Medline | Score: 25.209267 | Text size: 2228 | Find: similardocuments

ChemDiv databasewas screened using CBP-Hypo2 as a 3D query, and the best-fit hits subjected tomolecular ... Keywords ChemDiv HPPD inhibitors HipHop modelmolecule docking pharmacophore model virtual screening MeSH

Identification of Novel Small-Molecule ASGP-R Ligands

Alexander GMajouga;Yan A Ivanenkov; Mark S Veselov; Anton V Lopuhov; Svetlana VMaklakova;Elena KBeloglazkina; Petr V Binevski; Natalya LKlyachko;Yuri BSandulenko;Natalia YGalkina;Victor EKoteliansky

DOI: 10.2174/1567201813666160719144651 |ISSN: 1875-5704,1567-2018 | Journal: Current drug delivery, 13(8) pp. 1303-1312 |Publisher:BenthamScience Publishers | Publicationdate: 2016 | Print publication date: 2016

Originaldocument: Medline | Score: 22.13743 | Text size: 1513 | Find: similardocuments

ChemDiv collectionand compounds provided by our colleagues to reveal potential ASGP-R binders.

Discovery of new Mycobacterium tuberculosis proteasome inhibitors using aknowledge-based computational screening approach

Rukmankesh Mehra; Reena Chib; GurunadhamMunagala;Kushalava ReddyYempalla;Inshad Ali Khan; Parvinder PalSingh;Farrah Gul Khan; Amit Nargotra

DOI: 10.1007/s11030-015-9624-0 |ISSN: 1573-501X,1381-1991 | Journal: Molecular diversity, 19(4) pp. 1003-19 |Publisher: ESCOM Science Publishers | Publicationdate: 2015-08-01 | Print publication date: 2015-11

Originaldocument: Medline | Score: 21.702883 | Text size: 2179 | Find: similardocuments

ChemDiv (30,000compounds) databases.

Identification and optimization of Escherichia coli GlmU inhibitors: anin silico approach with validation thereof

Rukmankesh Mehra; Rashmi Sharma; Inshad Ali Khan; Amit Nargotra

DOI: 10.1016/j.ejmech.2014.12.030 |ISSN: 1768-3254,0223-5234 | Journal: European journal of medicinal chemistry, 92 pp. 78-90 |Publisher: EditionsScientifiques Elsevier | Publicationdate: 2014-12-18 | Print publication date: 2015-03-06

Originaldocument: Medline | Score: 21.367338 | Text size: 2185 | Find: similardocuments

ChemDiv databases.

Ethyl2-(benzylidene)-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylateanalogues as a new scaffold for protein kinase casein kinase 2 inhibitor

Cheng-Hao Jin; Kyu-Yeon Jun; Eunjung Lee; Seongrak Kim; Youngjoo Kwon; Kunhong Kim; Younghwa Na

DOI: 10.1016/j.bmc.2014.07.037 |ISSN: 1464-3391,0968-0896 | Journal: Bioorganic & medicinal chemistry, 22(17) pp.4553-65 | Publisher:Elsevier Science | Publication date: 2014-07-30 | Print publication date: 2014-09-01

Originaldocument: Medline | Score: 21.122412 | Text size: 3074 | Find: similardocuments

ChemDiv chemicallibraries (2000: randomly selected; 2000: kinase-biased) and performed in vitrokinase

Virtual screening and synthesis of novel antitubercular agents throughinteraction-based pharmacophore and molecular docking studies

Deepak Bhattarai; MuhammadMuddassar;Jae Wan Jang; Seung Kon Hong; Eunice EunkyeongKim;Taegwon Oh; Sang-Nae Cho; Ae Nim Pae;Gyochang Keum

DOI: 10.2174/1573409911666150414150300 |ISSN: 1875-6697,1573-4099 | Journal: Current computer-aided drug design, 10(4) pp. 383-92 |Publisher: BenthamScience Publishers | Publicationdate: 2014 | Print publication date: 2014

Originaldocument: Medline | Score: 21.533804 | Text size: 2250 | Find: similardocuments

ChemDiv database.

Identification of dual Acetyl-CoA carboxylases 1 and 2 inhibitors bypharmacophore based virtual screening and molecular docking approach

AnuseemaBhadauriya;Gaurao V Dhoke; Rahul P Gangwal; Mangesh V Damre; Abhay TSangamwar

DOI: 10.1007/s11030-013-9425-2 |ISSN: 1573-501X,1381-1991 | Journal: Molecular diversity, 17(1) pp. 139-49 |Publisher: ESCOM Science Publishers | Publicationdate: 2013-01-19 | Print publication date: 2013-02

Originaldocument: Medline | Score: 22.005249 | Text size: 1746 | Find: similardocuments

pharmacophoremodels were used to screen several small-molecule databases, including Specs,NCI,ChemDiv and Natural product databases to identify the potentialdual ACC inhibitors.

Targeting the transposase domain of the DNA repair component Metnase toenhance chemotherapy

Elizabeth AWilliamson;Leah Damiani; Andrei Leitao; Chelin Hu; Helen Hathaway; Tudor Oprea; Larry Sklar; Montaser Shaheen; Julie Bauman; Wei Wang; Jac A Nickoloff; Suk-Hee Lee; Robert Hromas

PMC ID: PMC3972061 | DOI: 10.1158/0008-5472.CAN-12-0313 |ISSN: 1538-7445,0008-5472 | Journal: Cancer research, 72(23) pp. 6200-8 |Publisher: AmericanAssociation for Cancer Research | Publicationdate: 2012-10-22 | Print publication date: 2012-12-01

Originaldocument: Medline | Score: 20.804443 | Text size: 2425 | Find: similardocuments

ChemDiv libraryto identify small molecules that might dock in the active site of thetransposase nuclease

Application of validated QSAR models of D1 dopaminergic antagonists fordatabase mining

Scott Oloff; Richard BMailman;AlexanderTropsha

DOI: 10.1021/jm049116m |ISSN: 0022-2623,0022-2623 | Journal: Journal of medicinal chemistry, 48(23) pp. 7322-32 |Publisher: American Chemical Society | Publicationdate: 2005-11-17 | Print publication date: 2005-11-17

Originaldocument: Medline | Score: 22.093195 | Text size: 2350 | Find: similardocuments

(NCI)database of ca. 250,000 compounds, the Maybridge Database of ca. 56,000compounds, and theChemDiv Database of ca. 450,000 compounds. These searchesresulted in only 54 consensus hits (i.

Kinase inhibitor recognition by use of a multivariable QSAR model

D G Sprous; John Zhang; Lei Zhang; Zhaolin Wang; M A Tepper

DOI: 10.1016/j.jmgm.2005.09.004 |ISSN: 1093-3263,1093-3263 | Journal: Journal of molecular graphics & modelling, 24(4)pp. 278-95 |Publisher: Elsevier Science, Inc. | Publicationdate: 2005-10-25 | Print publication date: 2006-01

Originaldocument: Medline | Score: 22.316162 | Text size: 2265 | Find: similardocuments

We appliedthis model to evaluate the commercial kinase libraries available from Asinex,BioFocus, ChemDivand LifeChemicals to facilitate purchase decisionsfor compounds for HTS for lead compounds.


LIST, Alan F.[US];WEI, Sheng [US]

Publicationdate: 2020-01-08 | Patent publication No.: EP-3016512-B1|Assignees: H. Lee Moffitt Cancer Center And Research Institute, Inc. [US] | IPC: A01N25/00;A61K39/00; C12P21/04 | Oldestpriority date: 2014-04-10 | Publication date: 2020-01-08

Score: 11.569273 | Text size: 173774 | Find: similardocuments

ChemBridgeCorporation (16981 Via Tazon, Suite G, San Diego, CA, 92127, USA,;ChemDiv (6605Nancy Ridge Drive, San Diego, CA 92121, USA); Life Chemicals (1103 OrangeCenter Road,

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Publicationdate: 2020-01-08 | Patent publication No.: EP-3303613-B1|Assignees: Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. [DE];Lead Discovery Center GmbH [DE] | IPC: C12Q1/68 | Oldestpriority date: 2015-05-29 | Publication date: 2020-01-08

Score: 13.327991 | Text size: 122895 | Find: similardocuments

in the assaywas 4-methyl-5-[2-(pyrimidin-2-ylamino)thiazol-4yl]thiazol-2-amine (availableat ChemDiv) and is applied using contact-free acousticdroplet-dispensing (Labcyte Echo®) from 10 mM compound

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Elizabeth J.Goldsmith [US]; Alexander T.Piala [US];Malia B. Potts[US]

Publicationdate: 2020-01-02 | Patent publication No.: US-20200000806-A1|Assignees: Board of Regents, The University of Texas System [US] | IPC: A61K31/517;A61K31/427; A61K31/428 | Oldestpriority date: 2016-05-26 | Publication date: 2020-01-02

Score: 14.293713 | Text size: 60848 | Find: similardocuments

These 13compounds were purchased from Chembridge Inc. and ChemDiv Inc. formeasurement of direct binding using Differential Scanning Fluorimetry (DSF).


Mark D. ANDRAKE[US];Anna MarieSKALKA [US];George W. Merkel[US]

Publicationdate: 2019-12-19 | Patent publication No.: US-20190381054-A1|Assignees: Institute for Cancer Research d/b/a The Research Institute of Fox ChaseCancer Center [US] | IPC: A61K31/53; A61K31/4245; A61K31/454 | Oldest priority date: 2017-01-26 | Publication date: 2019-12-19

Score: 17.30191 | Text size: 55022 | Find: similardocuments

formation(see FIG. 1B), and used it to screen the 50,000 compound chemical diversitylibrary of ChemDiv, ltd. at 10 uM concentration. ... day wereperformed to screen the entire Chemical Diversity set of 50,000 compoundsobtained from ChemDiv, Ltd.


Thomas A. Reh[US];Paul Nakamura[US];Sheng Ding [US]

Publicationdate: 2019-12-19 | Patent publication No.: US-20190381047-A1|Assignees: University of Washington [US]; The J. David Gladstone Institutes, aTestamentary Trust Established Under the Will of J. David Glads [US] | IPC: A61K31/519;C07D495/04; A61K31/426; A61K9/00; A61P27/02 | Oldest priority date: 2015-03-27 | Publication date: 2019-12-19

Score: 18.390413 | Text size: 53739 | Find: similar documents

(I) isCA8801: [[image:EMI-C00006]] Compounds CA88 and CA8801 are commerciallyavailable from ChemDiv(San Diego, Calif. ... (II) is CA9513:[[image:EMI-C00010]] Compounds CA95 and CA9513 are commercially availablefrom ChemDiv (San Diego, Calif. ... Nr2e3 interactingmolecules specifically identified herein were obtained commercially from ChemDiv (SanDiego, Calif.

Osteocalcin as a treatment for cognitive disorders

Gerard Karsenity[US];Franck Oury [US]

Publicationdate: 2019-12-19 | Patent publication No.: US-20190381142-A1|Assignees: THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK | IPC: A61K38/22;G01N33/68 | Oldestpriority date: 2013-03-15 | Publication date: 2019-12-19

Score: 10.089907 | Text size: 305978 | Find: similardocuments

MaybridgeHitFinder (14,379 compounds); Peakdale 1 (2,816 compounds); Peakdale 2 (352compounds);ChemDiv Combilab and International (28,864 compounds);Mixed Commercial Plate 1 (352 compounds); Mixed



Publicationdate: 2019-12-18 | Patent publication No.: EP-1850681-B1|Assignees: Firmenich Incorporated [US] | IPC: A23L27/20; A23L27/26; A23L2/56; A23L23/00; A23L2/02; A61K31/395;C07D401/12; C07D401/14 | Oldestpriority date: 2005-02-04 | Publication date:2019-12-18

Score: 11.239684 | Text size: 190835 | Find: similardocuments

other wellknown chemical suppliers such as Fisher Scientific, TCI America ofPhiladelphia, PA, ChemDiv of San Diego, CA, Chembridge of SanDiego, CA, Asinex of Moscow, Russia, SPECS/BIOSPECS of the

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Inhibitors of RAD52 Recombination Protein and Methods Using Same

Alexander V.MAZIN [US]

Publicationdate: 2019-12-12 | Patent publication No.: US-20190375761-A1|Assignees: DREXEL UNIVERSITY [US] | IPC: C07D495/04; C07D491/056; C07D307/82; A61K45/06; A61K31/55; A61K31/5377;A61K31/517; A61K31/496; A61K31/4741; A61K31/4525; A61P35/00; C07D471/04;C07D239/95; C07D405/12; C07D215/38 | Oldestpriority date: 2015-06-04 | Publication date: 2019-12-12

Score: 12.484504 | Text size: 132719 | Find: similardocuments

Thecompounds for confirmation analysis were purchased from Asinex Ltd., ChemBridgeCo., ChemDiv Inc, Enamine, FCH Group, Frontier Scientific ServicesInc., InterBioScreen Ltd., Life Chemicals Inc.


Neil S. Cutshall[US];Jennifer LynnGage [US];Franz A.Gruswitz [US]; Juhienah Khalaf[US];Thomas L. Little[US];Markus Metz [US]; Jeremiah H.Nguyen [US];Peter KurtNollert von Specht [US]; Jennifer Tsoung[US];MichaelCicirelli [US]; Sara RebeccaGoldstein [US]; Santosh KumarKeshipeddy [US]; Do Yeon Kwon[US];Robert HuertaLemus [US];Sudheer BabuVaddela [US]

Publicationdate: 2019-12-05 | Patent publication No.: US-20190367452-A1|Assignees: Omeros Corporation [US] | IPC: C07D205/04; C07D211/60; C07D401/12; C07D217/14; C07C251/24; C07D213/73;C07D239/94; C07D235/30; C07D207/24; C07D295/135; C07C235/88; C07D295/033;C07D257/04; C07D207/16; C07D207/36; C07D295/26; C07D213/81; C07D417/12;C07D277/56; C07D231/44; C07D471/04; C07D233/64; C07D403/12; C07D249/08;C07D401/14; C07D417/14; C07D471/06; C07D413/12; C07D409/14; C07D495/04;C07D409/10; C07D413/14; C07D401/06; C07D403/06; C07D239/96 | Oldest priority date: 2018-05-29 | Publication date: 2019-12-05

Score: 8.340613 | Text size: 1173407 | Find: similardocuments

In certainaspects, a ChemDiv library (12760 High Bluff Drive, Suite 370,San Diego, Calif. 92130 USA) is used. The ChemDiv libraryoffers a wide variety of compounds including more than 1.5 M individual solidscreening


METZ, Markus[US];GOLDSTEIN, SaraRebecca [US]; KESHIPEDDY,Santosh Kumar [US]; KWON, Do Yeon[US];LEMUS, RobertHuerta [US];VADDELA, SudheerBabu [US];CUTSHALL, NeilS. [US];GAGE, JenniferLynn [US];GRUSWITZ, FranzA. [US];KHALAF, Juhienah[US];LITTLE, ThomasL. [US];NGUYEN, JeremiahH. [US];NOLLERT VONSPECHT, Peter Kurt [US]; TSOUNG, Jennifer[US];CICIRELLI,Michael [US]; METZ, Markus[US];GOLDSTEIN, SaraRebecca [US]; KESHIPEDDY,Santosh Kumar [US]; KWON, Do Yeon[US];LEMUS, RobertHuerta [US];VADDELA, SudheerBabu [US]

Publicationdate: 2019-12-05 | Patent publication No.: WO-2019231933-A2|Assignees: OMEROS CORPORATION [US] | IPC: C07D205/04 |Oldest priority date: 2018-05-29 | Publicationdate: 2019-12-05

Score: 8.340613 | Text size: 1086216 | Find: similardocuments

is a publicaccess service for structure-based ligand discovery. [0203] In certain aspects,a ChemDiv library (12760 High Bluff Drive, Suite 370, SanDiego, CA 92130 USA) is used. The ChemDiv library offers awide variety of compounds including more than 1.5 M individual solid screening


HOUSEY, Gerard,M. [US];BALASH, Monica,E. [US];HOUSEY, Gerard,M. [US]

Publicationdate: 2019-11-21 | Patent publication No.: WO-2019222690-A1|Assignees: HMI, INC. [—] | IPC: C07K16/22; A61K38/00 |Oldest priority date: 2018-05-17 | Publicationdate: 2019-11-21

Score: 12.290053 | Text size: 157205 | Find: similardocuments

and includeAMRI library, AnalytiCon, BioFocus DPI Library, Chem-XInfmity, ChemBridgeLibrary, ChemDivLibrary, Enamine Library, The Greenpharma NaturalCompound Library, Life Chemicals Library,


Tory M. Schaaf[US];David D. Thomas[US];Benjamin Grant[US];Kurt C. Peterson[US];Gregory D.Gillispie [US]

Publicationdate: 2019-11-21 | Patent publication No.: US-20190353663-A9|Assignees: REGENTS OF THE UNIVERSITY OF MINNESOTA [US] | IPC: G01N33/68;G01N33/52; G01N33/542; G01N33/58 | Oldestpriority date: 2017-01-25 | Publication date: 2019-11-21

Score: 11.918776 | Text size: 202839 | Find: similardocuments

and includeAMRI library, AnalytiCon, BioFocus DPI Library, Chem-X-Infinity, ChemBridgeLibrary, ChemDivLibrary, Enamine Library, The Greenpharma NaturalCompound Library, Life Chemicals Library,

Flavivirus protease inhibitors

RadhakrishnanPadmanabhan [US]; TadahisaTeramoto [US]; Mark Manzano[US]

Publicationdate: 2019-11-12 | Patent publication No.: US-10471082-B2|Assignees: Georgetown University [US] | IPC: A61K31/7032; A61K31/519; A61K31/12; A61K31/352; A61K31/415; A61K31/426;A61K31/44; A61K31/7034; A61K31/4178; A61K45/06 | Oldest priority date:2012-10-23 | Publication date: 2019-11-12

Score: 14.971729 | Text size: 52283 | Find: similardocuments

from, forexample, Alfa Aesar (Ward Hill, Mass.); ChemBridge Corporation (San Diego,Calif.); ChemDiv (San Diego, Calif.); and WaterstoneTechnology (Carmel, Ind.). IV.


CORSON, TimothyW. [US];SEO, Seung-Yong[KR];LEE, Bit [KR]

Publicationdate: 2019-11-07 | Patent publication No.: WO-2019213076-A1|Assignees: INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION [US]; GACHONUNIVERSITY OF INDUSTRY-ACADEMIC COOPERATION FOUNDATION [KR] | IPC: A61K31/522;C07D487/04 | Oldestpriority date: 2018-04-30 | Publication date: 2019-11-07

Score: 16.068731 | Text size: 145281 | Find: similardocuments

at theIndiana University School of Medicine Chemical Genomics Core Facility (CGCF)using the ChemDiv 10K and a portion (10,000 compounds) of theChemBridge 50K libraries of chemical compounds. ... IC50 determinationCompounds, reordered from ChemDiv or synthesized as describedabove, were made to 10 mM in DMSO and tested in the FECH enzymatic


VERKMAN, Alan S.[US];CIL, Onur [US]; HAGGIE, Peter M.[US]

Publicationdate: 2019-10-31 | Patent publication No.: WO-2019210103-A2|Assignees: THE REGENTS OF THE UNIVERSITY OF CALIFORNIA [US] | IPC: A61K31/37;A61K31/4164; A61K31/472; A61P1/10; C07D311/42 | Oldest priority date: 2018-04-25 | Publication date: 2019-10-31

Score: 17.506392 | Text size: 107835 | Find: similardocuments

Initialscreening was done of -50,000 drug-like synthetic small molecules (ChemDiv,San Diego, CA) at a concentration of 25 mM using a Cl /T exchange protocol toassay slc26a3 function. Following initial screening, compound analogs werepurchased (ChemDiv, San Diego, CA) to generate structure-activity data.... After initial screening, analogs of active compounds were purchased (ChemDiv)to generate structure-activity relationship data.


FOLEY, Megan[US];TAIT, Bradley[US];CULLEN, Matthew[US]

Publicationdate: 2019-10-16 | Patent publication No.: EP-3552664-A1|Assignees: Proteostasis Therapeutics, Inc. [US] | IPC: A61P25/28 |Oldestpriority date: 2011-05-12 | Publication date: 2019-10-16

Score: 10.354719 | Text size: 282678 | Find: similar documents

Compound A47(also shown below) was purchased from ChemDiv, San Diego, CA.

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Inhibitors of RAD52 recombination protein and methods using same

Alexander V.Mazin [US]

Publicationdate: 2019-10-15 | Patent publication No.: US-10442817-B2|Assignees: Drexel University [US] | IPC: C07D215/38; C07D405/12; C07D239/95; C07D471/04; C07D495/04; A61K31/517;A61K31/496; A61K31/55; A61K31/47; A61K45/06; A61P35/00; C07D491/048;A61K31/4525; A61K31/4741; A61K31/5377; C07D307/82; C07D491/056; A61K31/4188 | Oldest priority date: 2015-06-04 | Publication date:2019-10-15

Score: 12.484504 | Text size: 136518 | Find: similardocuments

Thecompounds for confirmation analysis were purchased from Asinex Ltd., ChemBridgeCo., ChemDiv Inc, Enamine, FCH Group, Frontier Scientific ServicesInc., InterBioScreen Ltd., Life Chemicals Inc.


Bonnie L.Bassler [US]; Nina M.Hoyland-Kroghsbo [DK]; Jon E.Paczkowski [US]

Publicationdate: 2019-10-10 | Patent publication No.: US-20190307818-A1|Assignees: The Trustees of Princeton University [US] | IPC:A61K35/76; A61K45/06; A61P31/04; A01N63/00; G01N33/68; A61K31/353;A61K31/12; A61K31/44; A61K31/381; A61K31/365; A23L3/3454 |Oldest prioritydate: 2016-04-08 | Publication date: 2019-10-10

Score: 14.450268 | Text size: 180781 | Find: similardocuments

made to 10mM and stored at −20° C.. lab Princeton Chemistry Department Various(TCI, ChemBridge,ChemDiv, Cayman Chemicals, Santa Cruz Chemicals, ALFAAESA) Arabinose inducer 10% w/v in H2O (autoclaved, ... Princeton ChemistryDepartment Various (TCI, ChemBridge, ChemDiv, Cayman Chemicals,Santa Cruz Cehmicals, ALFA AESA) Arabinose inducer stock 10% w/v in H2O



Publicationdate: 2019-10-09 | Patent publication No.: EP-2467398-B1|Assignees: Poseida Therapeutics, Inc. [US] | IPC: A61K31/18; C07K14/705; A61P25/04; C12N15/113 | Oldest priority date: 2009-10-01 | Publication date: 2019-10-09

Score: 12.290053 | Text size: 124973 | Find: similardocuments

It will beappreciated that there are many suppliers of chemical compounds,including ChemDiv (San Diego, Calif.), Sigrna-Aldrich (St.Louis, Mo.

External link


LIOTTA, DennisC. [US];TRAYNELIS,Stephen F. [US]; JING, Yao [US]

Publicationdate: 2019-10-03 | Patent publication No.: WO-2019191424-A1|Assignees: EMORY UNIVERSITY [US] | IPC: A61K31/135; A61K31/451; A61K31/662 | Oldest priority date: 2018-03-28 | Publication date: 2019-10-03

Score: 13.10661 | Text size: 133326 | Find: similardocuments

lT7-pyrazol-l-yl)-4-oxobutanoicacid (DQP-1105) was selected from a Ca2+-based screen of ChemDiv andAsinex diversity libraries as GluN2C/D-selective antagonists [75,76] andexhibited inhibition

Methods of treating muscular dystrophy

Dean Burkin [US]; Ryan Wuebbles[US]

Publicationdate: 2019-09-03 | Patent publication No.: US-10398749-B2|Assignees: BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THEUNIVERSITY OF NEVADA, RENO [US] | IPC: A61K38/05; A61K31/496; A61K31/4985; A61K31/506; A61K38/39; A61K31/5375;A61K31/343; A61K31/4418; A61K31/444; A61K31/4709; A61K31/53; A61K45/06;A61K31/5377; A61K31/5383; A61K31/551; A61K31/57; A61K31/661; A61K31/16;A61K31/575; A61K31/5365; A61K31/4178; A61K31/20; A61K31/519; A61K31/541;A61K31/19; A61K31/277; A61K31/341; A61K31/36; A61K31/37; A61K31/381;A61K31/4025; A61K31/4035; A61K31/41; A61K31/415; A61K31/4196; A61K31/421;A61K31/426; A61K31/4365; A61K31/4402; A61K31/47; A61K31/473; A61K31/498;A61K31/404; A61K31/4164; A61P21/00 | Oldestpriority date: 2012-09-10 | Publication date: 2019-09-03

Score: 14.190399 | Text size: 216957 | Find: similardocuments

Heidelberg);the DIVERSet library (Chembridge Corp., San Diego, Calif.) and compounds fromthe ChemDivlibrary. ... to activate expression of the α7 integrinCompound (Obtained Commercially from ChemDiv Library)[[image:EMI-C00026]] [[image:EMI-C00027]] 1080-0573 5α-cholestan-3β- 20


Domenico Accili[US];Ja YoungKim-Muller [US]

Publicationdate: 2019-08-29 | Patent publication No.: US-20190265229-A1|Assignees: The Trustees of Columbia University in the City of New York [US] | IPC: G01N33/50 | Oldest priority date: 2015-09-15 | Publication date: 2019-08-29

Score: 11.569273 | Text size: 251540 | Find: similardocuments

MaybridgeHitFinder (14,379 compounds); Peakdale 1 (2,816 compounds); Peakdale 2 (352compounds);ChemDiv Combilab and International (28,864 compounds);Mixed Commercial Plate 1 (352 compounds); Mixed

Methods and compositions to treat cancer

Jeffrey Whitsett[US];Yutaka Maeda[US]

Publicationdate: 2019-08-27 | Patent publication No.: US-10391084-B2|Assignees: Children's Hospital Medical Center [US] | IPC:A61K31/429; A61P35/00 | Oldestpriority date: 2013-06-20 | Publication date: 2019-08-27

Score: 14.039395 | Text size: 70642 | Find: similardocuments

3-[2-(4-fluorobenzyl)imidazo[2,1-beta][1,3]thiazol-6-yl]-2H-chromen-2-one(iMDK) purchased from ChemDiv(San Diego, Calif.) was dissolved inDMSO.


TACHDJIAN,Catherine [US]; TANG, Xiao-Qing[US];KARANEWSKY,Donald, S. [US]; SERVANT, Guy[US];LI, Xiaodong[US];ZHANG, Feng [US]; CHEN, Qing [US]; ZHANG, Hong [US]; DAVIS, Timothy[US];DARMOHUSODO,Vincent [US]; WONG, Melissa[US];SELCHAU, Victor[US]

Publicationdate: 2019-08-21 | Patent publication No.: EP-2552207-B1|Assignees: Firmenich Incorporated [US] | IPC: A61K31/47; A23L27/20; C07D215/54 | Oldestpriority date: 2010-04-02 | Publication date: 2019-08-21

Score: 10.089907 | Text size: 294647 | Find: similardocuments

other wellknown chemical suppliers such as Fisher Scientific, TCI America ofPhiladelphia, PA, ChemDiv of San Diego, CA, Chembridge of SanDiego, CA, Asinex of Moscow, Russia, SPECS/BIOSPECS of the

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TRAN, Nhan [US]; MEURICE,Nathalie [US]; DHRUV, Harshil[US];YIN, Hongwei[US]

Publicationdate: 2019-08-21 | Patent publication No.: EP-3019874-B1|Assignees: The Translational Genomics Research Institute [US] |IPC: G01N33/68; A61K31/53; A61K31/542; A61K31/4704; A61K31/541; A61K31/4188;A61K31/4192; A61K31/24; A61K45/06; A61K31/4745; A61K33/24 | Oldest priority date: 2013-09-20 | Publication date: 2019-08-21

Score: 18.245615 | Text size: 196068 | Find: similardocuments

implementedto identify virtual hits from a vendor compound library of peptidomimeticmolecules (ChemDiv, 13,637 compounds). ... The peptidomimetic setof ChemDiv (version of May 2011; 13,137 compounds) wasprepared using LigPrep version 2.5 in Schrodinger v2011 ... The peptidomimeticset of ChemDiv (13,137 compounds, v05.2011) was selected forthis study and pre-processed as described in methods. ... As shown in Figure10A, 4 compounds from the supplier ChemDiv with compoundidentifiers G873-0032, F151-0435, D715-0890, and J004-1091 showed an average... These core substructures served as query to perform a substructure searchin the ChemDiv online catalogue.

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GOMER, Richard,H. [US];COX, Nehemiah[US]

Publicationdate: 2019-08-21 | Patent publication No.: EP-3065548-B1|Assignees: THE TEXAS A&M UNIVERSITY SYSTEM [US] | IPC:A01N43/00; A61K31/33; A61K31/41; A61K31/425; A61K31/38; A01N37/18;A61K31/16; A61P11/06; A61P11/00; A61P1/16; A61P1/00; A61P9/00; A61P13/12;A61P17/00; A61P19/00; A61P43/00 | Oldestpriority date: 2013-09-30 | Publication date: 2019-08-21

Score: 14.165414 | Text size: 61824 | Find: similardocuments

Compound 2(Cat#545-1519) and compound 3 (Cat#4545-1530) were purchased from ChemDiv (SanDiego, CA).

External link



Publicationdate: 2019-08-21 | Patent publication No.: EP-3242661-B1|Assignees: The U.S.A. as represented by the Secretary, Department of Health and HumanServices [US]; Yale University [US] | IPC: C07D307/84; A61K31/343; A61P35/00 | Oldest priority date: 2015-01-05 | Publication date: 2019-08-21

Score: 18.078405 | Text size: 187023 | Find: similardocuments

20,000unique small molecule stock solutions (10 mM in DMSO) purchased from ChemBridgeand ChemDivscreening libraries, in addition to dyes and controls,were printed in duplicate onto four slides ... No.Peggy (% c-Myc expressioncompared to untreated)IC50 1 [[image:ib0037]] Commercial: ChemDiv No.D089-0563 50% (at 10 μM) 7.6 μM 2[[image:ib0038]] Commercial: ChemDiv No. D089-0474 72% (at 10 μM) 95%viability (at 10 μM) 3[[image:ib0039]] Commercial: Otava Chemical No. 7018860541 52% (at 10 μM) 6.3 μM 4[[image:ib0040]] Commercial: ChemDiv No. D089-0559 73% (at 10 μM) 75%viability (at 10 μM) 5[[image:ib0041]] Commercial: ChemBridge No.

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Methods for use in combination for the treatment and diagnosis ofautoimmune diseases

Hakon Hakonarson[US];Yun Rose Li [US]; Brendan Keating[US]

Publicationdate: 2019-08-20 | Patent publication No.: US-10385398-B2|Assignees: The Children's Hospital of Philadelphia [US] | IPC:C12Q1/68; C12Q1/6883 | Oldestpriority date: 2015-08-21 | Publication date: 2019-08-20

Score: 9.370946 | Text size: 364358 | Find: similardocuments

Austria),BioFocus DPI, Switzerland, Bionet (Camelford, UK), ChemBridge, (San Diego,Calif.), ChemDiv, (San Diego, Calif.

Methods and Compositions for Re-activating Epstein-Barr Virus andScreening Compounds Therefor

Paul M.Lieberman [US]; NadezhdaTikhmyanova-Eckert [US]; Joseph M.Salvino [US]

Publicationdate: 2019-08-08 | Patent publication No.: US-20190240202-A1|Assignees: The Wistar Institute of Anatomy and Biology [US]; Drexel University [US] | IPC: A61K31/437;C12Q1/02; A61K45/06; A61K31/19; A61K31/69; A61K31/522; C07D471/04 | Oldest priority date:2013-08-31 | Publication date: 2019-08-08

Score: 19.037996 | Text size: 98277 | Find: similardocuments

FIG. 2B is ascatter plot of luminescence values for HTS campaign of the ChemDiv library.The well number is indicated on the X-axis. FIG. 2C is a scatter plot of datafrom HTS of ChemDiv screen (FIG. 2B) re-sorted according tothe fold induction of luminescence relative to DMSO. FIG. ... clinicalcollection, a 14,400 compound library from Maybridge, and a 50,000 compoundlibrary from ChemDiv. The Maybridge “Hit Finder” library representslead-like diversity from the larger Maybridge screening collection (56,000).The ChemDivlibrary consists of a 30,000 compound “DiscoveryChemistry” set of diverse lead-like small

Electrophysiological assays using oocytes that express human enac and theuse of phenamil to improve the effect of enac enhancers in assays usingmembrane potential reporting dyes

Guy SERVANT [US]; Hong Chang [US]; Cyril REDCROW[US];Sumita Ray [US]; lmran CLARK [US]; Bryan MOYER [US]

Publicationdate: 2019-08-08 | Patent publication No.: US-20190242905-A1|Assignees: SENOMYX, INC. [US] | IPC: G01N33/68; G01N33/50; C12Q1/02; C12N15/85 | Oldest priority date: 2001-05-01 | Publication date: 2019-08-08

Score: 12.484504 | Text size: 152301 | Find: similardocuments

It will beappreciated that there are many suppliers of chemical compounds,including ChemDiv (San Diego, Calif.), Sigma-Aldrich (St.Louis, Mo.


Dean Burkin [US]; Ryan Wuebbles[US]

Publicationdate: 2019-08-08 | Patent publication No.: US-20190240195-A1|Assignees: Board of Regents of the Nevada System of Higher Education, on Behalf of theUniv of Nevada, Reno [US] | IPC: A61K31/404; A61K45/06 | Oldestpriority date: 2013-03-15 | Publication date:2019-08-08

Score: 10.089907 | Text size: 347299 | Find: similardocuments

et al.,2006). 2) DIVERSet library (Chembridge Corp., San Diego, Calif.) and compoundsfrom the ChemDivlibrary. 3) LOPAC library (Sigma-RPI) consists of1280 pharmaceutically active compounds.


PYLE, Anna [US]; FEDOROVA, Olga[US];JAGDMANN, Erik,Gunnar [US];VAN ZANDT,Michael [US]; YUAN, Lin [US]; DeBERARDINIS,Albert [US]

Publicationdate: 2019-08-01 | Patent publication No.: WO-2019147894-A1|Assignees: YALE UNIVERSITY [US] | IPC: A61K35/12; C12N15/113; C12N9/22 | Oldestpriority date: 2018-01-26 | Publication date: 2019-08-01

Score: 10.089907 | Text size: 282266 | Find: similardocuments

(76compounds), protease inhibitors (53 compounds) and additional compounds fromChemBridge MW andChemDiv to bring the total number of compounds to10000. The D135 ribozyme (Su et al.

Methods for treatment of retinal disease by photoreceptor gene expressionmodulation

Thomas A. Reh[US];Paul Nakamura[US];Sheng Ding [US]

Publicationdate: 2019-07-30 | Patent publication No.: US-10363256-B2|Assignees: University of Washington [US]; The J. David Gladstone Institutes, aTestamentary Trust Established Under the Will of J. David Gladstone [US] | IPC: A61K9/00;A61P27/02; A61K31/426; A61K31/519; C07D495/04 | Oldest priority date: 2015-03-27 | Publication date: 2019-07-30

Score: 18.390413 | Text size: 64233 | Find: similardocuments

(I) isCA8801: [[image:EMI-C00006]] Compounds CA88 and CA8801 are commercially availablefrom ChemDiv(San Diego, Calif. ... (II) is CA9513:[[image:EMI-C00010]] Compounds CA95 and CA9513 are commercially availablefrom ChemDiv (San Diego, Calif. ... Nr2e3 interactingmolecules specifically identified herein were obtained commercially from ChemDiv (SanDiego, Calif.

Methods for identifying subjects with a genetic risk for developing IgAnephropathy

Ali Gharavi [US]; KrzysztofKiryluk [US]; Richard Lifton[US]

Publicationdate: 2019-07-23 | Patent publication No.: US-10358678-B2|Assignees: The Trustees of Columbia University in the City of New York [US]; YaleUniversity [US] | IPC: C12Q1/6883 | Oldestpriority date: 2011-02-17 | Publication date: 2019-07-23

Score: 12.484504 | Text size: 190979 | Find: similardocuments

(A divisionof Key Organics Limited), Camelford, UK; ChemBridge Corporation, San Diego,Calif.; ChemDiv Inc., San Diego, Calif.; ChemRx AdvancedTechnologies, South San Francisco, Calif.; ComGenex Inc.

Small molecule inhibitors of influenza A RNA-dependent RNA polymerase

Kayvan Niazi[US];ShahroozRabizadeh [US]; Anne-Laure Le Ny[US];Oleksandr Buzko[US];Justin Golovato[US];PatrickSoon-Shiong [US]

Publicationdate: 2019-07-16 | Patent publication No.: US-10350225-B1|Assignees: Nant Holdings IP, LLC [US] | IPC: C07D417/12; A61K31/635; A61K31/55; A61K31/501; A61K31/5377; A61K31/47;A61K31/4409; A61K31/4709; A61K31/496; A61K31/4545; A61K31/444; A61K31/426;A61K31/454; G16B5/00 | Oldestpriority date: 2013-01-31 | Publication date: 2019-07-16

Score: 14.692947 | Text size: 57917 | Find: similardocuments



CatherineTachdjian [US]; DonaldKaranewsky [US]; Xiao Qing Tang[US];Hanghui Liu [US]

Publicationdate: 2019-07-11 | Patent publication No.: US-20190208802-A1|Assignees: Senomyx, Inc. [US] | IPC: A23L2/56; A23L27/00; A61K47/26; A23L27/20; A61K47/22 | Oldest priority date: 2010-08-12 | Publication date: 2019-07-11

Score: 8.557886 | Text size: 449476 | Find: similardocuments

other wellknown chemical suppliers such as Fisher Scientific, TCI America ofPhiladelphia, Pa., ChemDiv of San Diego, Calif., Chembridge ofSan Diego, Calif.


FIELDS, Mark[US];DEL PRIORE,Lucian [US];CAI, Huey [US]; HOYER, Denton[US]

Publicationdate: 2019-07-11 | Patent publication No.: WO-2019136466-A1|Assignees: YALE UNIVERSITY [US] | IPC: A61K31/4412; A61K31/519; A61P27/02 | Oldest priority date: 2018-01-08 | Publication date: 2019-07-11

Score: 16.402758 | Text size: 100248 | Find: similardocuments

As usedherein,“compound 414” or“YU 162779-01” refers to ChemDiv librarycompound number C325-0414, or a salt, solvate or hydrate thereof, having theformula: [[image:imgf000013_0001]] As used herein,“compound 434”or“YU162787-01” refers to ChemDiv library compound numberC325-0434, or a salt, solvate or hydrate thereof, having the

Soluble CD33 for treating myelodysplastic syndromes (MDS)

Alan F. List[US];Sheng Wei [US]

Publicationdate: 2019-07-09 | Patent publication No.: US-10344072-B2|Assignees: H. Lee Moffitt Cancer Center and Research Institute, Inc. [US] | IPC: A61K38/17;C07K19/00; C07K14/705; A61K47/00; A61K47/50; G01N33/68; A61K47/69; C07K14/735;A61K38/00 | Oldestpriority date: 2013-07-05 | Publication date: 2019-07-09

Score: 11.918776 | Text size: 178331 | Find: similardocuments

Corporation(16981 Via Tazon, Suite G, San Diego, Calif., 92127, USA,; ChemDiv (6605 Nancy Ridge Drive, SanDiego, Calif.


Sara Buhrlage[US];Ellen Weisberg[US];James D. Griffin[US]

Publicationdate: 2019-07-04 | Patent publication No.: US-20190202929-A1|Assignees: Sara BUHRLAGE [US]; Ellen WEISBERG [US]; James Douglas GRIFFIN [US];Dana-Farber Cancer Institute, Inc. [US] | IPC: C07K16/30;C12Q1/686; C12Q1/6806; A61P35/02; C12Q1/02; C12Q1/6841; C12Q1/6851; A01K67/027|Oldestpriority date: 2016-09-20 | Publication date: 2019-07-04

Score: 7.874651 | Text size: 455531 | Find: similardocuments

HBX19818analogs were purchased from ChemDiv and dissolved in DMSO toobtain a 10 mM stock solution.


Iwao Ojima [US]; Dale Deutsch[US];Martin Kaczocha[US];William T.Berger [US];Robert Rizzo[US];Trent E. Balius[US]

Publicationdate: 2019-07-04 | Patent publication No.: US-20190201365-A1|Assignees: The Research Foundation for The State University of New York [US] | IPC: A61K31/216;C07C69/76; A61K31/194; G01N33/68; C07C67/08; C07C211/58; C07C69/757;C07C69/753; G01N33/566; C07C67/48; C07C235/40; C07C235/38; C07C233/58;C07C233/11 | Oldestpriority date: 2012-07-20 | Publication date: 2019-07-04

Score: 19.91218 | Text size: 140509 | Find: similardocuments

EnergeticallyDOCK selected ligands from the ChemDiv library that did nothave unfavorable interaction, both VDW and ES, intrinsically selecting ... The followingcompounds are available from ChemDiv (San Diego, Calif., USA):StructureChemDiv ID Number [[image:EMI-C00036]] 8009-2334[[image:EMI-C00037]] 8009-3434 [[image:EMI-C00038]] ... acid was from CaymanChemical (Ann Arbor, Mich.). 48 virtually screened test compounds from ChemDiv,Inc. (Moscow, Russia). ... Competitors included arachidonic acid,BMS309403, 48 test compounds from ChemDiv library, Compound 26and Compound 49. ... Virtual Screening A high-throughput virtual screening ofover one million molecules from the ChemDiv subset of the ZINCdatabase (http://zinc.docking.


LEVY, Ofer [US]; DOWLING, DavidJ. [US];BORRIELLO,Francesco [US]; SCOTT, David A.[US];BRIGHTMAN,Spencer E. [US]; FERU, Frederic[US]

Publicationdate: 2019-05-23 | Patent publication No.: WO-2019099578-A1|Assignees: CHIDREN'S MEDICAL CENTER CORPORATION [US]; DANA-FARBER CANCER INSTITUTE,INC. [US] | IPC: A61K31/52; C07D473/32 | Oldestpriority date: 2017-11-14 | Publication date: 2019-05-23

Score: 13.4640045 | Text size: 324834 | Find: similardocuments

bioactiveand commercial libraries from various sources including commercial librariessuch as ChemDiv, ChemBridge, and Asinex (see attached pdf of alllibraries). ... known bioactive and commercial libraries from various sources (e.g.,commercial libraries such as ChemDiv, ChemBridge, and Asinex; seeattached pdf of all libraries).


LEVY, Ofer [US]; DOWLING, DavidJ. [US];BORRIELLO,Francesco [US]; SCOTT, David, A[US];BRIGHTMAN,Spencer E. [US]; FERU, Frederic[US]

Publicationdate: 2019-05-23 | Patent publication No.: WO-2019099564-A1|Assignees: CHILDREN'S MEDICAL CENTER CORPORATION [US]; DANA-FARBER CANCER INSTITUTE,INC. [US] | IPC: A61K31/4188; A61K31/519; C07D487/04; A61P37/02 | Oldest priority date: 2017-11-14 |Publicationdate: 2019-05-23

Score: 13.4640045 | Text size: 269157 | Find: similardocuments

bioactiveand commercial libraries from various sources including commercial librariessuch as ChemDiv, ChemBridge, and Asinex (see attached pdf of alllibraries). ... known bioactive and commercial libraries from various sources(e.g., commercial libraries such as ChemDiv, ChemBridge, andAsinex; see attached pdf of all libraries).


Hakon Hakonarson[US];Berta Almogurea[US];Lyam M. Vasquex[US];Patrick M.a.Sleiman [US]

Publicationdate: 2019-05-23 | Patent publication No.: US-20190153523-A1|Assignees: THE CHILDREN'S HOSPITAL OF PHILADELPHIA [US] | IPC: C12Q1/6827;C12Q1/6883; A61K45/06; A61P11/06 | Oldestpriority date: 2016-07-21 | Publication date: 2019-05-23

Score: 12.484504 | Text size: 171594 | Find: similardocuments

Austria),BioFocus DPI, Switzerland, Bionet (Camelford, UK), ChemBridge, (San Diego,Calif.), ChemDiv, (San Diego, Calif.


Michael YoonsukCHOI [US];Byeong-Moo KIM[US]

Publicationdate: 2019-05-16 | Patent publication No.: US-20190144862-A1|Assignees: THE GENERAL HOSPITAL CORPORATION [US] |IPC: C12N15/113; A61K35/407; A61P1/16 | Oldestpriority date: 2016-05-20 | Publication date: 2019-05-16

Score: 11.569273 | Text size: 199903 | Find: similardocuments

for example,from Enzo Life SciencesTM, Aurora Fine ChemicalsTM, Exclusive ChemistryLtdTM, ChemDiv, ChemBridgeTM, TimTec IncTM, AsisChemTM, andPrinceton Biomolecular ResearchTM, among others.

ISL1-Based Gene Therapy to Treat Hearing Loss

Zheng-Yi Chen[US];Yujuan Ju [US]

Publicationdate: 2019-05-16 | Patent publication No.: US-20190142969-A1|Assignees: Massachusetts Eye and Ear Infirmary [US] | IPC:A61K48/00; A61K38/17; A61P27/16 | Oldestpriority date: 2016-04-26 | Publication date: 2019-05-16

Score: 12.484504 | Text size: 137874 | Find: similardocuments

availablecompound libraries (suppliers include Chembridge Corp (San Diego, Calif.)and ChemDiv (San Diego, Calif.)).


HOON, Mark A.[US];SOLINSKI, HansJuergen [DE]; INGLESE, James[US];DRANCHAK,Patricia [US]; HOON, Mark A.[US];SOLINSKI, HansJuergen [DE]; INGLESE, James[US];DRANCHAK,Patricia [US]

Publicationdate: 2019-05-09 | Patent publication No.: WO-2019090039-A1|Assignees: THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENTOF HEALTH AND HUMAN SERVICES [US] | IPC: A61K31/422; A61K31/4184; A61K31/015; A61K31/42; A61K31/437; A61K31/439;A61K31/4545; A61K31/4985; A61K31/506; A61K31/519; A61K31/55; A61K31/5513;A61K31/5517; A61P17/04; A61P43/00 | Oldestpriority date: 2017-11-03 | Publication date: 2019-05-09

Score: 18.04004 | Text size: 92160 | Find: similardocuments

a][l,4]diazepine-4,4'-piperidin]-r-yl)methanone(Chemdiv Inc., catalog number S217-0244); (m)N-benzyl-l-(2-cyanobenzyl)-4-oxo-l ,5-diazacycloundecane-8-carboxamide (ChemdivInc., catalog number S733-0866); or (n)N-benzyl-N-methyl-8-phenylimidazo[l,2-a]pyrazine-2-carboxamide (Chemdiv Inc.,catalog number T425-0460).


Dan THEODORESCU[US];MichaelFitzpatrick WEMPE [US]; David ROSS [US]; Chao YAN [US]; Phillip REIGAN[US]

Publicationdate: 2019-05-09 | Patent publication No.: US-20190135824-A1|Assignees: THE REGENTS OF THE UNIVERSITY OF COLORADO, a body corporate [US] | IPC: C07D491/052;A61K31/4162; A61K45/06 | Oldestpriority date: 2014-07-10 | Publication date: 2019-05-09

Score: 12.290053 | Text size: 139037 | Find: similardocuments

The ChemDiv library[v2006.


Mark A. Hoon[US];Hans JuergenSolinski [DE]; James Inglese[US];PatriciaDranchak [US]

Publicationdate: 2019-05-09 | Patent publication No.: US-20190135804-A1|Assignees: The United States of America,as represented by the Secretary,Department ofHealth and Human Services [US] | IPC: C07D471/04; C07D487/04; C07D413/12; A61P17/04 | Oldest priority date: 2017-11-03 | Publication date: 2019-05-09

Score: 18.248644 | Text size: 72732 | Find: similardocuments

(ChemdivInc., catalog number S217-0244); (m)N-benzyl-1-(2-cyanobenzyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide (ChemdivInc., catalog number S733-0866); or (n)N-benzyl-N-methyl-8-phenylimidazo[1,2-a]pyrazine-2-carboxamide (Chemdiv Inc.,catalog number T425-0460).


LAIRSON, Luke L.[US];BOLLONG, MichaelJ. [US];SCHULTZ, PeterG. [US];MANI, SenduraiA. [US]

Publicationdate: 2019-05-09 | Patent publication No.: WO-2019089577-A1|Assignees: THE SCRIPPS RESEARCH INSTITUTE [US]; BOARD OF REGENTS, THE UNIVERSITY OFTEXAS SYSTEM [US] | IPC: A61K31/437; A61K31/4704; A61K31/4741; A61K31/497; A61K31/498; A61K31/4985;A61K31/502; A61K31/551; A61P35/04 | Oldestpriority date: 2017-10-30 | Publication date: 2019-05-09

Score: 16.930674 | Text size: 99538 | Find: similardocuments

Selected hitcompounds were reordered from ChemDiv and tested for selectivetoxicity in 10-point response assays as above. ... a library of -50,000 diverseheterocyclic compounds and biologically active small molecules (ChemDiv,San Diego, CA, USA) for cytotoxic activity against both cell lines, [00139] Preliminaryscreening


Jeffrey A.Whitsett [US]; Yutaka Maeda[US];Takuya Fukazawa[JP]

Publicationdate: 2019-05-09 | Patent publication No.: US-20190134053-A1|Assignees: Takuya FUKAZAWA [JP]; Children's Hospital Medical Center [US] | IPC: A61K31/5377;A61K31/429; A61K31/444; A61K31/4375; A61P35/00 | Oldest priority date: 2016-07-28 | Publication date:2019-05-09

Score: 14.557414 | Text size: 46365 | Find: similardocuments

(hereinafter “iMDK” (Compound A, below) was purchased from ChemDiv (SanDiego, Calif.

Methods to identify modulators of RyR calcium channels

Razvan L. Cornea[US];Donald M. Bers[US];David D. Thomas[US];Gregory D.Gillispie [US]

Publicationdate: 2019-05-07 | Patent publication No.: US-10281476-B2|Assignees: REGENTS OF THE UNIVERSITY OF MINNESOTA [US] |IPC: G01N31/00; G01N33/53; G01N33/68 | Oldestpriority date: 2013-12-10 | Publication date: 2019-05-07

Score: 12.290053 | Text size: 179884 | Find: similardocuments

and includeAMRI library, AnalytiCon, BioFocus DPI Library, Chem-X-Infinity, ChemBridgeLibrary, ChemDivLibrary, Enamine Library, The Greenpharma NaturalCompound Library, Life Chemicals Library,


Mayland CHANG[US];ShahriarMobashery [US]; Edward Spink[GB];Derong Ding [US]; SebastianTestero [AR]; Erika Leemans[BE];Marc Boudreau[US]

Publicationdate: 2019-05-02 | Patent publication No.: US-20190127340-A1|Assignees: University Of Notre Dame Du Lac [US] | IPC:C07D271/107; C07D413/04; C07F9/653; C07D471/04 | Oldest priority date: 2014-09-25 | Publication date: 2019-05-02

Score: 14.999643 | Text size: 177982 | Find: similardocuments

A library of1.2 million drug-like compounds from the ChemDiv subset of theZINC database (Irwin et al., J. Chem. Inf. Model. ... From these, 29 compoundswere selected and purchased from ChemDiv for in vitro activityexperiments. Syntheses.

Isolated human lung progenitor cells and uses thereof

JayarajRajagopal [US]; Hongmei Mou [US]

Publicationdate: 2019-04-30 | Patent publication No.: US-10273450-B2|Assignees: THE GENERAL HOSPITAL CORPORATION [US] | IPC:C12N5/074; A61K35/42; A61L27/38; A61L27/56; A61L27/58; G01N33/68;C12N5/071; A61K9/00 | Oldestpriority date: 2012-01-13 |Publicationdate: 2019-04-30

Score: 9.838301 | Text size: 266887 | Find: similardocuments

for example,from Enzo Life SciencesTM, Aurora Fine ChemicalsTM Exclusive ChemistryLtd.TM, ChemDiv, ChemBridgeTM, TimTec Inc.TM, AsisChemTM, andPrinceton Biomolecular ResearchTM, among others.

Subunit selective NMDA receptor potentiators for the treatment ofneurological conditions

Stephen F.Traynelis [US]; Dennis C. Liotta[US];Rose M.Santangelo [US]; Ethel C. Garnier[US]

Publicationdate: 2019-04-30 | Patent publication No.: US-10273214-B2|Assignees: Emory University [US] | IPC: C07D217/16; C07D491/056; C07D409/06; C07D405/06; C07D401/06; C07D413/06;C07D409/04; C07D401/04; C07D277/34; C07D263/58; C07D239/88; C07D215/22;C07D209/08 | Oldestpriority date: 2009-01-28 | Publication date: 2019-04-30

Score: 16.882145 | Text size: 168432 | Find: similardocuments

molecules,such as beta-turn mimetic libraries and the like, may be purchased from forexample ChemDiv, Pharmacopia or Combichem or synthesized and aredescribed in Tietze and Lieb, Curr. Opin. Chem. ... For example, ChemDiv usesmore than 800 individual chemical cores, a unique Building Block Library, andproprietary ... In addition, ChemDiv's compounds are designed toensure their similarity to drugs adjusted according to proprietary

Screening methods for the binding affinity of chemical entities tobiological molecules and NEDD4-1 inhibitors identified by the screening methods

Alexander V.Statsyuk [US]; Stefan G.Kathman [US]

Publicationdate: 2019-04-30 | Patent publication No.: US-10273208-B2|Assignees: Northwestern University [US] | IPC: G01N33/68; H01J49/00; H01J49/16; C07C235/40; C07D209/42; C07D231/56;C07D307/84; C07D471/04 | Oldestpriority date: 2014-05-23 | Publication date: 2019-04-30

Score: 11.918776 | Text size: 196210 | Find: similardocuments

fromAccelrys, 94,275 commercially available carboxylic acids were identified fromthe ChemBridge, ChemDiv, MayBridge, NCI and Sigma-Aldrich librariesusing SMARTS query strings.

Methods of treating muscular dystrophy

Dean Burkin [US]; Ryan Wuebbles[US]

Publicationdate: 2019-04-30 | Patent publication No.: US-10272069-B2|Assignees: BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THEUNIVERSITY OF NEVADA, RENO [US] | IPC: A61K31/40; A01N43/38; A61K31/404; A61K45/06 | Oldest priority date: 2012-09-10 | Publication date: 2019-04-30

Score: 14.450268 | Text size: 238806 | Find: similardocuments

Heidelberg);the DIVERSet library (Chembridge Corp., San Diego, Calif.) and compounds fromthe ChemDivlibrary. ... α7 integrin Compound (ObtainedIncreased A7 Expression Commercially from Myotubes + MyoblastsChemDiv Library)EC100 Myoblasts Only 5α-cholestan-3β-ol-6-oneN032-0003 N066-0070 N069-0071 N069-0075



Publicationdate: 2019-04-25 | Patent publication No.: US-20190117641-A1|Assignees: CeMM - Forschungszentrum für Molekulare Medizin GmbH [AT] | IPC: A61K31/4725;A61P35/00; A61K31/22; A61K31/517; A61K31/5517 | Oldest priority date: 2016-02-15 | Publication date: 2019-04-25

Score: 10.354719 | Text size: 235623 | Find: similardocuments

CompoundsA2, A3, A4 and A5 were purchased from ChemDiv (San Diego,USA). Synthesis of all other analogs was carried out by Enamine Ltd.


GAVATHIOTIS,Evripidis [US]; KITSIS, Richard,N. [US];BIRIS, Nikolaos[US];ZACHARIOUDAKIS,Emmanouil [US]

Publicationdate: 2019-04-25 | Patent publication No.: WO-2019079243-A1|Assignees: ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. [US] | IPC: A01K67/027;C12N15/85; C12N15/877 | Oldestpriority date: 2017-10-17 | Publication date: 2019-04-25

Score: 14.293713 | Text size: 58596 | Find: similardocuments

ScreenedMASMs were purchased from Enamine, ChemBridge and ChemDiv.

Plasmodial surface anion channel inhibitors for the treatment orprevention of malaria

Sanjay A. Desai[US]

Publicationdate: 2019-04-23 | Patent publication No.: US-10265313-B2|Assignees: The United States of America, as represented by the Secretary, Departmentof Health and Human Services [US] | IPC: A61K31/4985; A61K31/501; A61K31/496; C07D413/14; C07D409/04; C07D409/14;C07D239/84; C07D417/06; C07D241/44; C07D263/57; C07D491/048; C07D498/04;C07D277/54; C07D513/04; C07D281/16; A61K31/42; A61K31/433; A61K31/495;A61K31/498; A61K31/50; A61K31/519; A61K31/554; C07K14/445; A61K31/422;A61K31/4741; A61K31/517; A61K39/015; C07K16/20; A61K45/06; A61K31/423;A61K31/427; A61K31/4355; A61K31/437; A61K31/4439 | Oldest priority date:2011-04-12 | Publication date: 2019-04-23

Score: 15.906768 | Text size: 142600 | Find: similardocuments

methods aswould be known to those skilled in the art or obtained from commercial sourcessuch as ChemDiv Inc., San Diego, Calif. or Peakdale MolecularLimited, High Peak, England. ... room temperature using a commercial library of50,000 compounds with >90% purity confirmed by NMR (ChemDiv). Screenswere performed in 384-well format with individual wells containing a singlecompound at

Complement C3d-binding compounds

DimitriosMorikis [US]; Ronald D.Gorham, Jr. [US]

Publicationdate: 2019-04-16 | Patent publication No.: US-10259824-B2|Assignees: The Regents of the University of California [US] | IPC:C07D495/04; C07D249/04; C07D417/14; C07D471/04; A61P27/02; A61K31/165 | Oldest priority date: 2015-05-01 | Publication date: 2019-04-16

Score: 13.793969 | Text size: 93675 | Find: similardocuments

Selecteddrug-like compounds were obtained from Enamine, Pharmeks, ChemDiv,ChemBridge, and Maybridge.


Steven AlbertEverett [US]; Saraj Ulhaq [GB]

Publicationdate: 2019-02-28 | Patent publication No.: US-20190060472-A1|Assignees: University Court of the University of Dundee [GB] | IPC: A61K47/54;C07D491/22; A61K31/513; C07D417/12; C07D409/12; C07D407/12; C07D405/14;C07D405/12; C07D405/04; C07D311/18; C07D311/16; C07D307/80; A61K31/664;A61K31/428; A61K31/4184; A61K31/352; A61K31/343; A61K31/52; A61K31/665;A61K31/37; A61K31/381; C07D487/04 | Oldestpriority date: 2009-05-01 | Publication date: 2019-02-28

Score: 16.189404 | Text size: 219848 | Find: similardocuments

for CYP1B1The target enzyme CYP1B1 was screened against two commercial librariesincluding the ChemDivDiversity 50,000 test compound collection andthe ChemDiv Kinase Targeted 10,000 test compound collectionwith a view to identifying activity differentiating ... cross validation on atraining set selected from 45,000 and 9,000 test compounds from the ChemDiv Diverseand Kinase libraries.



Publicationdate: 2019-02-28 | Patent publication No.: US-20190065668-A1|Assignees: THE WALTER AND ELIZA HALL INSTITUTE OF MEDICAL RESEARCH [AU] | IPC: G06F19/16 | Oldest priority date: 2015-06-09 | Publication date: 2019-02-28

Score: 7.2924438 | Text size: 927233 | Find: similardocuments

from, forexample, Maybridge Chemical Co. (Tintagel, Cornwall, UK), AMRI (Budapest,Hungary) and ChemDiv(San Diego, Calif.), Specs (Delft, The Netherlands).

Electrophysiological assays using oocytes that express human ENaC and theuse of phenamil to improve the effect of ENaC enhancers in assays usingmembrane potential reporting dyes

Guy Servant [US]; Hong Chang [US]; Cyril Redcrow[US];Sumita Ray [US]; Imran Clark [US]; Bryan Moyer [US]

Publicationdate: 2019-02-26 | Patent publication No.: US-10215759-B2|Assignees: SENOMYX, INC. [US] | IPC: C12Q1/02; C12N15/85; G01N33/50; G01N33/68 | Oldest priority date: 2001-05-01 | Publication date: 2019-02-26

Score: 12.484504 | Text size: 153665 | Find: similardocuments

It will beappreciated that there are many suppliers of chemical compounds,including ChemDiv (San Diego, Calif.), Sigma-Aldrich (St.Louis, Mo.

α- and γ-truxillic acid derivatives and pharmaceuticalcompositions thereof

Iwao Ojima [US]; Dale Deutsch[US];Martin Kaczocha[US];William T.Berger [US];Robert Rizzo[US];Trent E. Balius[US]

Publicationdate: 2019-02-26 | Patent publication No.: US-10213406-B2|Assignees: THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK [US] | IPC: A61K31/216;C07C67/08; C07C211/58; C07C233/11; C07C233/58; C07C235/38; C07C235/40;C07C69/753; C07C69/76; C07C67/48; C07C69/757; G01N33/566; A61K31/194; G01N33/68|Oldestpriority date: 2012-07-20 | Publication date: 2019-02-26

Score: 19.91218 | Text size: 149952 | Find: similardocuments

EnergeticallyDOCK selected ligands from the ChemDiv library that did nothave unfavorable interaction, both VDW and ES, intrinsically selecting ... Thefollowing compounds are available from ChemDiv (San Diego,Calif., USA): StructureChemDiv ID Number [[image:EMI-C00036]] 8009-2334[[image:EMI-C00037]] 8009-3434 [[image:EMI-C00038]] ... acid was from CaymanChemical (Ann Arbor, Mich.). 48 virtually screened test compounds from ChemDiv,Inc. (Moscow, Russia). ... Competitors included arachidonic acid,BMS309403, 48 test compounds from ChemDiv library, Compound 26and Compound 49. ... Virtual Screening A high-throughput virtual screening ofover one million molecules from the ChemDiv subset of the ZINCdatabase (http://zinc.docking.