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Building blocks
Substructure Search for Screening Compounds
Focused and targeted libraries
Protein-Protein Interaction Library
211,413
PPI Helix Turn 3D-Mimetics Library
68,388
Peptidomimetic Library
36,711
PDZ PPI Library
3,055
Nonpeptide Peptidomimetics PPI Library
18,417
Cyclic Ugi PPI Library
9,487
Alpha-Helix Mimetics Library
24,737
Peptidomimetics of Beta-Turn Motifs Library
2,123
Macrocycles Library
2,335
3D Mimetics PPI Library
1,503
Recognition Elements PPI Library
23,943
Bcl2-PPI Inhibitors Library
11,568
Inhibitors of beta-Catenin Signaling
6,960
MDM2-p53 interaction inhibitors Library
21,144
SH2 PTB Focused Library
5,886
Nucleoside Mimetics Library
2,292
Purine Based Nucleoside Mimetics Library
1,156
CNS MPO Library
28,284
CNS Library
26,000
GABA Library
7,123
Purinergic Library
3,271
Neurotransmitter Transporter Inhibitors Library
10,813
Ligand-Gated Ion Channels Library
3,743
Voltage-Gated Ion Channel-Targeted Library
4,723
GPCR Targeted Library
29,185
Protein Kinases Inhibitors Library
36,324
Akt-Targeted Library
15,000
Allosteric Kinases Inhibitors Library
22,697
Aurora A-B Kinases Targeted Library
9,342
KRAS-Targeted Library
8,843
Proline Kinase Library
2,081
Type II Kinase Inhibitors Library
6,996
C-Met Library
15,080
PI3K-Targeted Library
16,720
Antiviral Library
65,937
Anti-HIV1 Library
18,507
Antiviral HBV Library
9,726
CORONAVIRUS Library
20,750
Androgen Receptor Antagonists Library
4,244
Anticancer Library
61,619
Antimitotic Tubulin Library
17,182
Developmental Pathway (Hh/Wnt) Set
2,230
MEF2-HDAC (class II) Modulators Library
4,805
Cysteine Proteases Inhibitors Library
7,801
Serine Proteases Inhibitors Library
31,972
Protein Arginine Methyltransferases Library
27,102
Immunological Library
6,531
PD-1/L1 Library
491
TLR-8 ligands Library
597
Anti-Inflammatory Library
24,162
See all >
Active Reference Sets
Human GPCR Annotated Library
5,584
CNS Annotated Library
704
Human Phosphatases Annotated Library
209
Human Receptors Annotated Library
5,398
Human Transcription Factors Annotated Library
5,114
Human Proteases Annotated Library
2,886
Human Ion Channels Annotated Library
351
Human Kinases Annotated Library
2,464
CNS targets activity set
6,584
Selective Target Activity Profiling Library
14,839
Therapeutical Diversity Annotated Library
7,567
ChemoGenomic Annotated Library for Phenotypic Screening
90,959
3D-Biodiversity Library
27,659
Target Identification, Phenotypic Screening library (TIPS)
27,664
Launched & Clinically Evaluated Drugs Library
190
Antiviral Annotated Library
21,667
Opportunistic Pathogens of Immunocompromised Hosts Annotated Library
1,790
See all >
Diversity libraries
Representative Diversity Libraries
50,000 / 100,000 / 150,000
SmartTM Library
50,213
Soluble Diversity Library
15,500
Targeted Diversity Library
39,646
MCE-18 Trends in Medicinal Chemistry
50,820
3D-Diversity Natural-Product-Like Library
17,656
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm)
207,525
3D-Pharmacophore Based Diversity Library
52,000
See all >
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Protein Kinases Inhibitors Library
36,324 compounds
Protein Kinases Inhibitors Library is modulators that are used in cancer and inflammation treatment.
C-Met Library
15,080 compounds
Molecules from c-Met Library target receptor tyrosine kinase. It prevents binding hepatocyte growth factor with c-Met which can lead to cancer.
Akt-Targeted Library
15,000 compounds
Akt Targeted Library is a set of small-molecule inhibitors of the Akt-signaling network. These inhibitors are widely used in cancer treatment.
DGK Inhibitors Library
10,674 compounds
Diacylglycerol kinase Inhibitors Library is a set of small-molecules that can inhibit the progression of cancer and innate cytotoxic immunocytes.
Cysteine Proteases Inhibitors Library
7,801 compounds
Set of small-molecule compounds that can target cysteine proteases and be used in drug development for cancer, viral, infections treatment.
Receptor protein tyrosine phosphatases
3,765 compounds
RPTP Targeted Library is small-molecule inhibitors. Disruption of protein tyrosine phosphorylation contributes to a variety of human diseases.
Serine Proteases Inhibitors Library
31,972 compounds
Serine Proteases Inhibitors Library is a set of small-molecule compounds that target serine proteases and can be used in anticancer drug discovery.
PI3K-Targeted Library
16,720 compounds
PI3K-Targeted Library is a set of small-molecule inhibitors of PI3K signaling pathway. They can be used in effective inhibiting tumor progression.
Protein Arginine Methyltransferases Library
27,102 compounds
PRMT Library is set of small-molecule compounds with reported affinity against cancer-assosiated PRMTs.
Proline Kinase Library
2,081 compounds
Proline Kinase Library is a set of kinase inhibitors. These kinases play a crucial role in diverse cellular processes and human diseases.
Aurora A-B Kinases Targeted Library
9,342 compounds
Set of small-molecule serine/threonine kinases family inhibitors.
Autophagy-Targeted Library
4,550 compounds
Autophagy-Targeted Library is a set of small-molecule modulators for the regulation of autophagy.
KRAS-Targeted Library
8,843 compounds
KRAS-Targeted Library is a set of novel KRAS-active compounds.
Regenerative Medicine Focused Library
23,032 compounds
Regenerative Medicine Focused Library is a chemical space that includes promoters of regeneration. They help to repair diseased organs or tissues.
Adenosine Receptors Targeted Library
19,626 compounds
Adenosine Receptors Targeted Library is a set of small-molecule ligands. They can be used for treating neurodegeneration diseases.
Developmental Pathway (Hh/Wnt) Set
2,230 compounds
Developmental Pathway Hh/Wnt Set is inhibitors of the Hedgehog and Wnt-signaling pathways implicated in cancer.
Antimitotic Tubulin Library
17,182 compounds
Antimitotic Tubulin Library is a set of small-molecule tubulin binders. These inhibitors are potential antimitotic drugs for anticancer therapy.
Chelators targeting matrix metalloproteinases library
8,600 compounds
Chelators targeting matrix metalloproteinases are small-molecule that inhibit proteolytic activity of tumor cells and prevent metastasis.
Type II Kinase Inhibitors Library
6,996 compounds
Type II Kinase Inhibitors Library is a set of non-ATP site inhibitors or activators that bind to an extended ATP site including a back pocket.
MCL1 Targeted Library
12,206 compounds
Set of small-molecule compounds that inhibit MCL1 thus restoring the apoptotic pathway in tumor cells.
Hsp90-Targeted Library
10,991 compounds
Heat shock protein 90 Targeted Library is a set of small-molecule modulators that inhibit the activity of HSP90/70 and can be used as anticancer drugs.
Integrin Receptors Targeted library
1,708 compounds
Integrin Receptors Targeted library is a set of RGD peptides or peptidomimetics that affect many events in tumor cells thereby directly induce apoptosis.
Indoleamine 2,3-dioxygenase 1 Focused Library
5,601 compounds
Indoleamine 2,3-dioxygenase1 Focused Library is a set of small-molecule compounds that can inhibit inappropriate IDO activity in tumours.
Inhibitors of beta-Catenin Signaling
6,960 compounds
Inhibitors of beta-Catenin Signaling is small molecules that target PPI of beta-catenin with other proteins involved in significant physiological processes.
Neuropeptide S Library
2,800 compounds
Neuropeptide S Library is a set of small-molecule NPSR ligands. They can be used in psychiatric disorders treatment as anxiolytics and analgesics.
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