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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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Immune system
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Immune system
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ACE2 Library
3,051 compounds
Angiotensin-converting enzyme Library is a set of small-molecule inhibitors of the SARS-CoV-2 binding site.
Antiviral HBV Library
9,726 compounds
Antiviral HBV Library is a set of non-nucleoside compounds for HBV treatment.
CORONAVIRUS Library
20,750 compounds
Coronavirus Library (COVID-19) is a set of small-molecule compounds that prevent coronaviral binding and further replication.
3CLpro Library
4,792 compounds
3-chymotrypsin-like protease Library is a set of small-molecule compounds for inhibiting coronavirus replication.
Antiviral Library
65,937 compounds
Antiviral Library is a set of small-molecule antiviral agents. These inhibitors target a wide range of viral proteins.
Histone Deacetylases (HDAC) Targeted Library
9,769 compounds
Set of small-molecule HDAC inhibitors. HDAC regulate gene expression and its inhibitors act against cancers, neurodegenerative and inflammatory diseases.
RAR (Nuclear receptors) Ligands Library
6,767 compounds
Set of RAR receptor antagonists. The retinoic acid receptor is a type of nuclear receptor which can also act as a transcription factor.
Nucleoside Mimetics Library
2,292 compounds
Nucleoside Mimetics Library is a set of modified nucleosides that are used as antiviral and antitumor drugs. They were also designed for HIV therapy.
PLpro Library
6,354 compounds
Papain-like protease Library is a set of drug-like compounds for COVID-19. They inhibit viral replication and the dysregulation of signaling cascades in infected cells.
Antibacterial Compounds Library
13,658 compounds
Antibacterial Compounds Library is a set small-molecule inhibitors of bacterial vital proteins.
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.
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.
PD-1/L1 Library
491 compounds
PD-1/L1 Library is a set of PD-1 and PD-L1 inhibitors. It is a group of anticancer drugs that block the activity of immune checkpoint proteins.
Autophagy-Targeted Library
4,550 compounds
Autophagy-Targeted Library is a set of small-molecule modulators for the regulation of autophagy.
Antiparasite Library
23,762 compounds
Antiparasite Library is a set of small-molecule compounds for drug discovery. It consists of antibacterial, antifungal and insecticide chemicals.
TLR-8 ligands Library
597 compounds
TLR-8 Ligands Library is a set of small-molecule TLR-8 agonists. They can be used in adjuvantation research and for the treatment of ovarian cancer.
Antifungal Library
16,046 compounds
Antifungal Library is a set of small-molecule compounds that target fungi proteins and can be used in antifungal drug development.
Steroid-like Compounds
498 compounds
Steroid-like compounds library is steroid-based molecules that regulate biological function. These synthetic steroids can treat inflammation.
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.
Nucleic Acid Ligands
8,118 compounds
Nucleic Acid Ligands is a set of minor and major groove DNA or RNA binders. Such small molecules have proven to be effective antiviral and cancer agents.
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.
Anti-Aging Library
44,952 compounds
Anti-Aging Library is small molecules targeting cellular pathways and biological targets that are implicated in aging.
STING Agonist Library
5,939 compounds
STING Agonist Library is small-molecules that bind and activate STING and lead to IFN production. Can be used in cancer immunotherapy.
Anti-HIV1 Library
18,507 compounds
Anti-HIV1 Library is a set of anti-HIV1 small-molecule agents for different viral targets.
Anti-infective Library
19,320 compounds
Anti-infective Library is a set of small-molecule compounds against various infectious agents.
Chemokine Receptor-Targeted Library
18,150 compounds
Chemokine Receptor Targeted Library is a set of small-molecule ligands. Modulation of chemokine receptor is used in the treatment of inflammatory diseases.
Immunological Library
6,531 compounds
Immunological Library is a set of small-molecule compounds that target vast space of proteins involved in immune system.
Anti-Inflammatory Library
24,162 compounds
Anti-Inflammatory Library is a set of small-molecule compounds that target pivotal proteins and receptors participating in the inflammatory process.
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