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Substructure Search in 1.6M Stock
Focused and targeted libraries
Protein-Protein Interaction Library
222,500
PPI Helix Turn 3D-Mimetics Library
74,000
Peptidomimetic Library
38,400
PDZ PPI Library
4,000
Nonpeptide Peptidomimetics PPI Library
19,400
Cyclic Ugi PPI Library
10,000
Alpha-Helix Mimetics Library
28,000
Peptidomimetics of Beta-Turn Motifs Library
2,679
Macrocycles Library
3,300
3D Mimetics PPI Library
2,000
Recognition Elements PPI Library
26,000
Bcl2-PPI Inhibitors Library
11,000
Inhibitors of beta-Catenin Signaling
8,000
MDM2-p53 interaction inhibitors Library
23,000
SH2 PTB Focused Library
7,000
Nucleoside Mimetics Library
2,600
Purine Based Nucleoside Mimetics Library
1,300
CNS MPO Library
30,000
CNS Library
26,000
GABA library
7,271
Purinergic Library
3,500
Neurotransmitter Transporter Inhibitors library
12,000
Ligand-Gated Ion Channels Library
4,000
Voltage-Gated Ion Channel-Targeted Library
5,000
GPCR Targeted Library
40,000
Protein Kinases Inhibitors Library
38,000
Akt-Targeted Library
12,000
Allosteric Kinases Inhibitors Library
26,000
Aurora A-B Kinases Library
10,000
KRAS-Targeted Library
11,000
Proline Kinase Library
2,000
Type II Kinase Inhibitors Library
8,000
C-Met Library
16,000
PI3K-Targeted Library
19,000
Antiviral Library
87,043
Anti-HIV1 Library
21,000
Antiviral HBV Library
11,000
CORONAVIRUS Library
21,145
Androgen Receptor Antagonists Library
4,300
Anticancer Library
65,000
Antimitotic Tubulin Library
18,000
Developmental Pathway (Hh/Wnt) Set
2,000
MEF2-HDAC (class II) Modulators Library
6,000
Cysteine Proteases Inhibitors Library
8,000
Serine Proteases Inhibitors Library
37,000
Protein Arginine Methyltransferases Library
31,000
Immunological Library
7,300
PD-1/L1 Library
500
TLR-8 ligands Library
900
Anti-Inflammatory Library
28,000
See all >
Active Reference Sets
Human GPCR Annotated Library
5800
CNS Annotated Library
733
Human Phosphatases Annotated Library
225
Human Receptors Annotated Library
5600
Human Transcription Factors Annotated Library
5278
Human Proteases Annotated Library
3000
Human Ion Channels Annotated Library
400
Human Kinases Annotated Library
2,500
CNS targets activity set
7,000
Selective Target Activity Profiling library
18,000
Therapeutical Diversity Annotated Library
8,500
ChemoGenomic Annotated library for Phenotypic Screening
99,500
3D-Biodiversity Library
34,000
Target Identification, Phenotypic Screening library (TIPS)
35,000
Launched & Clinically Evaluated Drugs Library
274
Antiviral Annotated Library
22,775
See all >
Diversity libraries
Representative Diversity libraries
50,000 / 100,000 / 150,000
SmartTM Library
54,000
Soluble Diversity Library
9,500
Targeted Diversity Library
45,000
MCE-18 Trends in Medicinal Chemistry
50,000
3D-Diversity Natural-Product-Like Library
21,000
300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm)
300,000
See all >
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Epigenetic
PPI modulators
Receptor's ligands
Structure
3D
Cyclic compounds
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GPCR
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Antiviral
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Cardiovascular
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Lipid Metabolism Library
9,000 compounds
Lipid Metabolism Library is a set of small-molecule modulators of proteins involved in lipid metabolism.
Regenerative Medicine Focused Library
23,000 compounds
Regenerative Medicine Focused Library is a chemical space that includes promoters of regeneration. They help to repair diseased organs or tissues.
Ion Channels Focused Library
26,000 compounds
Ion Channels Focused Library is small-molecule compounds selected for modulating ion channels proteins. They are therapeutic targets of CNS diseases.
Arginase Targeted Library
2,000 compounds
Arginase Targeted Library is a set of small-molecule compounds against arginase. This enzyme is implicated in cancer immunosuppression and tumor growth.
Cysteine Proteases Inhibitors Library
8,000 compounds
Cysteine Proteases Inhibitors Library is a set of small-molecule compounds that can be used in drug development for cancer, viral, infections treatment.
Serine Proteases Inhibitors Library
37,000 compounds
Serine Proteases Inhibitors Library is a set of small-molecule compounds that target serine proteases and can be used in anticancer drug discovery.
Purinergic Library
3,500 compounds
Purinergic Library is a set of purinergic receptor antagonists. Purinergic signaling is mediated by ATP. Such antagonists is used for thrombosis treatment.
MEF2-HDAC (class II) Modulators Library
6,000 compounds
MEF2-HDAC (class II) Modulators Library is a set of drug-like compounds aimed at modulating PPI of MEF2 with HDAC involved in physiological processes.
Adenosine Receptors Targeted Library
21,000 compounds
Adenosine Receptors Targeted Library is a set of small-molecule ligands. They can be used for treating neurodegeneration diseases.
Steroid-like-compounds
543 compounds
Steroid-like compounds library is steroid-based molecules that regulate biological function. These synthetic steroids can treat inflammation.
Autophagy-Targeted Library
17,000 compounds
Autophagy-Targeted Library is a set of small-molecule modulators for the regulation of autophagy.
BRD4 Targeted Library
5,000 compounds
BRD4 Targeted Library is a set of small-molecule compounds that inhibit transcriptional and epigenetic regulator - BRD4.
Cardiovascular Library
23,000 compounds
Cardiovascular Library is a set of small-molecule compounds with vast target space for cardiovascular disease drug discovery.
Macl-GPIb alpha Interaction Library
27,000 compounds
Macl-GPIb alpha set targets leukocyte-platelet interaction. This leads to an antithrombotic effect.
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