Bioactive Libraries

Description

Represents the diversity of structures and molecular targets of all FDA-approved chemical entities (Nat Chem Biol 13 (2017), 771–778)

Description

Most relevant selection of drugs in one formulation/no duplicates. Contains WHO List of Essential Medicines including Lapatinib and latest approved drugs such as Tivozanib, etc.

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Actives with extensive target classes’ coverage and the broadest possible therapeutic areas applications – from CNS agents and anti-infectives to anticancer drugs, steroids and molecular glues.

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Library of cell penetrated compounds and their closest analogs. Covers diverse therapeutic areas from antitumor, neurology and antibacterial to aging diseases.

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Frequent hitters with most diverse scaffold selection – from small hydroquinone and other covalent modifiers to polyfluorinated highly lipophilic molecules and dyes.

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Angiogenesis related ligands targeting FLT3, DYRK1A, Collagenase 3, GAK, Bcr-Abl, BTK, EGFR etc.

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Apoptosis related ligands targeting Mdm2 Mcl-1 IAP Caspase Modulator I, Caspase 3 and Caspase 6, Bcl-2, p53, TNF-alpha.

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Molecules used for immune-oncology research targeting P2X3 receptor MAG lipase, PI3 kinase and P2Y12.

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Сell cycle related compounds, e.g. LDC000067 CDK12-In-2 and Palbociclib selective and pan-CDK inhibitors, ROCK, mTOR and Aurora kinase inhibitors.

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Epigenetics related compounds targeting HDACs, HMT, JMJD, DNMT, Bromodomains, i KDM5 inhibitors and Sirtuin.

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Bioactive GPCR-targeted molecules, including GPCR inhibitors, agonists, and allosteric modulators. Library represents actives against 195 unique GPCR targets.

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Growth factors and cytokines ligands, including Ceritinib ALK inhibitor, Lucitanib VEGFR and FGFR inhibitor, MSX-127 CXCR4 antagonist, Eltrombopag Thrombopoietin receptor agonist etc.

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Ligands with annotated activity against 6 ion channel families and 105 unique targets. The library covers major applications typical for ion channel: cardiovascular regulation, neuroscience, immune response regulation.

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JAK-STAT signalling targeted molecules, including Pazopanib multi-TK inhibitor, LY294002 TPK inhibitor, PF06700841 JAK1 inhibitor, SH-4-54 STAT3 inhibitor and other related actives.

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Kinase binders, including approved drugs Imatinib, covalent Ibrutinib, Dasatinib and highly active inhibitors of most important kinases such as RAF, MAPK, BTK and many other.

Description

Membrane receptors ligands, including Risperidone (5-HT2 receptor blocker, D2 receptor antagonist), VU0071063 (ATP-dependent potassium channel activator), CU-T12-9 (TLR1/2 antagonist), LY354740 (mGlu2/3 receptor agonist).

Description

Nuclear receptor ligands with referenced activity against 368 unique molecular targets, including agonists Dienogest, antagonists Darolutamide, inverse antagonists GSK805.

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High activity ligands against 104 human and pathogenic proteases, including Saxagliptin, anti-diabetic type 2 drug, Mpro SARS-CoV-2 inhibitors, Atazanavir HIV-1 protease inhibitor etc.

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Signal transduction related ligands, including Selatinib EGFR/HER-2 inhibitor, XAV-939 Tankyrase1/2 inhibitor, STING agonist-1 G10, Fedratinib broad spectrum kinase inhibitor etc.

Description

Molecules with annotated activity against 12 transporter families and 82 unique targets, including Paroxetine (serotonin reuptake inhibitor), ML-352 (choline transporter 1 inhibitor, AR- C155858 (MCT1 and MCT2 inhibitor, GABA receptor ligands etc.