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CNS Annotated Library

CNS Annotated Library

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Libraries
  • Short
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Format
  • 384 well plates
    • Greiner #781270 225uL sealed with foil
    • 1, 2, 23, 24 empty;
    • 100uL of 10mM
  • 96 well plates
    • Greiner #651201 335uL sealed with foil
    • empty cols 1 & 12
    • 100uL of 10mM
  • 96 well plates
    • Matrix #4247 96-well 1.4ml sealed with capmats
    • empty cols 1 & 12
    • 100uL of 10mM
  • -
$7,920
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Your city: California, United States
Description

•Library of compounds acting on central nervous system (CNS) targets

•In CNS drug discovery the drug targets are used for targeting CNS and neurological related diseases like Parkinson’s disease, Alzheimer’s disease, schizophrenia, drug dependence, etc.

•Activity of drug target as a nucleic acid or a protein (e.g. an enzyme, a receptor) can be modulated by a small-molecular-weight chemical compound.

•As the discovery, identification, characterization and validation of novel human drug targets for CNS disease biology, and the emergence of new mechanisms and targets for misfolded proteins, tau, GCPRs, kinase inhibitors, neuroinflammation, etc. continues to grow; this library is a valuable tool for the neurological and CNS drug discovery.

A unique collection of small molecule compounds with annotated activities for protein targets relevant for the CNS therapeutic area


  • Annotated activities : 67 CNS related protein targets
  • Express Delivery : 480 compounds
  • Complete Version : 733 compounds


Library Composition

Data sources of annotations : Pharos, ChEMBL 25, PubChem, PubMed, Current Patent Literature (CAS, Integrity)

IDNUMBER – ChemDiv Catalog ID (in some instances the same IDNUMBER might have multiple annotation entries due to multiple data sources or because having activity against multiple similar targets);

UNIPROT – SwissProt and ChEMBL Target accesion ID; 

Type – character of the measured activity;

Value – Active compounds selection criteria, included only compounds with reported activities < 5 µM;

pubmed_id – PubMed record entry; 

doi, patent_id – journal or patent reference to a publication of original data;  

For screening data extracted from PubChem, see column assay_description for entry names PUBCHEM_BIOASSAY

Example of Annotations - an Excel file structure

IDNUMBER

assay_description

Relation

Value

Units

Type

pubmed_id

UNIPROT

Entry name

Protein names

H025-4101C

Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in HEK-293 cell membrane

=

11.48

nM

Ki

24650714

Q9Y5N1

HRH3_HUMAN

Histamine H3 receptor (H3R) (HH3R) (G-protein coupled receptor 97)

H025-3052

Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells

=

11.75

nM

Ki

21277782

P50406

5HT6R_HUMAN

5-hydroxytryptamine receptor 6 (5-HT-6) (5-HT6) (Serotonin receptor 6)

Y021-1623

Binding affinity towards 5-hydroxytryptamine 3 receptor

=

12

nM

Ki

12217367

P46098

5HT3A_HUMAN

5-hydroxytryptamine receptor 3A (5-HT3-A) (5-HT3A) (5-hydroxytryptamine receptor 3) (5-HT-3) (5-HT3R) (Serotonin receptor 3A) (Serotonin-gated ion channel receptor)

8016-5188

Displacement of [3H]Flumazenil from human GABA-Aalpha1 receptor plus beta-2-gamma-2 expressed in HEK293 cells

=

12

nM

Ki

16610795

P18507

GBRG2_HUMAN

Gamma-aminobutyric acid receptor subunit gamma-2 (GABA(A) receptor subunit gamma-2)

G229-0078

Positive allosteric modulation of human mGluR5 expressed in HEK293A cells

=

12.5

nM

EC50

22832311

P41594

GRM5_HUMAN

Metabotropic glutamate receptor 5 (mGluR5)

8016-5188

Binding affinity to the benzodiazepine receptor assayed using 0.5 nM [3H]flunitrazapam as radioligand in guinea pig cerebellum

=

14.1

nM

IC50

P14867

GBRA1_HUMAN

Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) receptor subunit alpha-1)

1000-0591

Displacement of [3H]-CP-55940 from human CB2 receptor expressed in HEK293 cell membranes

=

16.8

nM

Ki

27448919

P34972

CNR2_HUMAN

Cannabinoid receptor 2 (CB-2) (CB2) (hCB2) (CX5)

H025-0190C

Binding affinity to adrenergic alpha1A receptor by radioligand displacement assay

=

19.05

nM

Ki

19945877

P35348

ADA1A_HUMAN

Alpha-1A adrenergic receptor (Alpha-1A adrenoreceptor) (Alpha-1A adrenoceptor) (Alpha-1C adrenergic receptor) (Alpha-adrenergic receptor 1c)

H025-3231

PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member name: LRRK2

=

19.95

nM

Ki

Q5S007

LRRK2_HUMAN

Leucine-rich repeat serine/threonine-protein kinase 2 (EC 2.7.11.1) (EC 3.6.5.-) (Dardarin)

Publications

1.Eur. J. Med. Chem. 2010(45)2:782-789. 8-Sulfonyl-substituted tetrahydro-1H-pyrido[43-b]indoles as 5-HT6 receptor antagonists. Ivachtchenko AV Mitkin OD Tkachenko SE Okun IM Kysil VM.

2.Bioorg. Med. Chem. Lett. 2010(20)1:78-82. Synthesis and biological activity of 5-styryl and 5-phenethyl-substituted 2345-tetrahydro-1H-pyrido[43-b]indoles. Ivachtchenko AV Frolov EB Mitkin OD Tkachenko SE Okun IM Khvat AV.

3.Bioorg. Med. Chem. Lett. 2005(15)22:4889-4897. 35-Bicyclic aryl piperidines: a novel class of alpha4beta2 neuronal nicotinic receptor partial agonists for smoking cessation. Coe JW Brooks PR Wirtz MC Bashore CG Bianco KE Vetelino MG Arnold EP Lebel LA Fox CB Tingley FD Schulz DW Davis TI Sands SB Mansbach RS Rollema H O'Neill BT.

4.Bioorg. Med. Chem. Lett. 2010(20)16:4749-4752. A novel series of [3.2.1] azabicyclic biaryl ethers as alpha3beta4 and alpha6/4beta4 nicotinic receptor agonists. Lowe JA DeNinno SL Coe JW Zhang L Mente S Hurst RS Mather RJ Ward KM Shrikhande A Rollema H Johnson DE Horner W Gorczyca R Tingley FD Kozak R Majchrzak MJ Tritto T Sadlier J Shaffer CL Ellerbrock B Osgood SM MacDougall MC McDowell LL.

5.J. Med. Chem. 2009(52)13:3855-3868. 5-hydroxyindole-2-carboxylic acid amides: novel histamine-3 receptor inverse agonists for the treatment of obesity. Pierson PD Fettes A Freichel C Gatti-McArthur S Hertel C Huwyler J Mohr P Nakagawa T Nettekoven M Plancher JM Raab S Richter H Roche O Rodríguez Sarmiento RM Schmitt M Schuler F Takahashi T Taylor S Ullmer C Wiegand R.

6.J. Med. Chem. 2008(51)21:6889-6901. Synthesis and evaluation of structurally constrained quinazolinone derivatives as potent and selective histamine H3 receptor inverse agonists. Nagase T Mizutani T Sekino E Ishikawa S Ito S Mitobe Y Miyamoto Y Yoshimoto R Tanaka T Ishihara A Takenaga N Tokita S Sato N.

7.Substituted cycloalcano[e and d] pyrazolo [15-a]pyrimidines/antagonists of serotonin 5-HT6 receptors and methods for production and the use thereof US-8629154-B2 2014

8.Bioorg. Med. Chem. Lett. 2009(19)12:3214-3216. Identification of a novel series of 3-piperidinyl-5-sulfonylindazoles as potent 5-HT6 ligands. Liu KG Lo JR Comery TA Zhang GM Zhang JY Kowal DM Smith DL Di L Kerns EH Schechter LE Robichaud AJ.

9.J. Med. Chem. 2011(54)23:8161-8173. Synthesis and structure-activity relationship (SAR) of (57-disubstituted 3-phenylsulfonyl-pyrazolo[15-a]pyrimidin-2-yl)-methylamines as potent serotonin 5-HT(6) receptor (5-HT(6)R) antagonists. Ivachtchenko AV Golovina ES Kadieva MG Kysil VM Mitkin OD Tkachenko SE Okun IM.
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