venetoclax [Ligand Id: 8318] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3137309 (Venclexta, ABT-199, GDC-0199, RG7601, RG-7601, Venetoclax)
  • BCL2 apoptosis regulator/Apoptosis regulator Bcl-2 in Human [ChEMBL: CHEMBL4860] [GtoPdb: 2844] [UniProtKB: P10415]
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  • Bcl-2-like 2/Apoptosis regulator Bcl-W in Human [ChEMBL: CHEMBL4677] [GtoPdb: 2846] [UniProtKB: Q92843]
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  • Bcl-2-like 1/Apoptosis regulator Bcl-X in Human [ChEMBL: CHEMBL4625] [GtoPdb: 2845] [UniProtKB: Q07817]
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  • MCL1 apoptosis regulator, BCL2 family member/Induced myeloid leukemia cell differentiation protein Mcl-1 in Human [ChEMBL: CHEMBL4361] [GtoPdb: 2847] [UniProtKB: Q07820]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
BCL2 apoptosis regulator/Apoptosis regulator Bcl-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4860] [GtoPdb: 2844] [UniProtKB: P10415]
ChEMBL Inhibition of FAM-Bid binding to human BCL2 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assay B 9 pKi <1 nM Ki ACS Med Chem Lett (2016) 7: 1185-1190 [PMID:27994761]
ChEMBL Binding affinity to BCL2 (unknown origin) incubated for 30 mins by TR-FRET assay B 10 pKi <0.1 nM Ki MedChemComm (2016) 7: 778-787
ChEMBL Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: The inhibition constant (Ki) is the dissociation constant of an enzyme-inhibitor complex or a protein/small molecule complex, wherein the small molecule is inhibiting binding of one protein to another protein or peptide. Where the Ki for a compound is represented as > (greater than) a certain numerical value, it is intended to mean that the binding affinity value (e.g., for Bcl-XL) is greater than the limits of detection of the assay used. Where the binding selectivity ratio for a compound is represented as > (greater than) a certain numerical value, it is intended to mean that the selectivity of a particular compound for Bcl-2 over Bcl-XL is at least as great as the number indicated. Where the Ki for a compound is represented as < (less than) a certain numerical value, it is intended to mean that the binding affinity value (e.g., for Bcl-2) is lower than the limit of detection of the assay used. Inhibition constants were determined using Wang's equation (Wang Z-X). B 10.44 pKi 0.04 nM Ki US-9125913-B2. Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases (2015)
GtoPdb Note that this Ki is below the detection limit of the assay. - 11 pKi <0.01 nM Ki US8580794. Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases. (2013);
Nat. Med. (2013) 19: 202-8 [PMID:23291630]
ChEMBL Inhibition of Bcl-2 (unknown origin) by TR-FRET assay B 11 pKi <0.01 nM Ki Eur J Med Chem (2018) 146: 471-482 [PMID:29407973]
ChEMBL Inhibition of Bcl2 (unknown origin) B 11 pKi <0.01 nM Ki J Med Chem (2018) 61: 6421-6467 [PMID:29620890]
ChEMBL Binding affinity to Bcl-2 (unknown origin) by FRET assay B 11 pKi <0.01 nM Ki Bioorg. Med. Chem. Lett. (2016) 26: 2105-2114 [PMID:26988306]
ChEMBL Inhibition of Bcl2 (unknown origin) B 11 pKi <0.01 nM Ki J Med Chem (2018) 61: 2636-2651 [PMID:28926247]
ChEMBL Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) Assay: Representative compounds were serially diluted in dimethyl sulfoxide (DMSO) starting at 50 uM (2x starting concentration; 10% DMSO) and 10 uL were transferred into a 384-well plate. Then 10 uL of a protein/probe/antibody mix was added to each well at final concentrations listed in TABLE 1. Protein:GST-Bcl-2, Probe: F-Bak Peptide Probe Acetyl-GQVGRQLAIIGDK(6-FAM)INR-amide(SEQ ID NO: 1), Protein(nM): 1, Probe (nM): 100, Antibody: Tb-anit-GST, Antibody (nm): 1. The samples are then mixed on a shaker for 1 minute and incubated for an additional 3 hours at room temperature. For each assay, the probe/antibody and protein/probe/antibody were included on each assay plate as negative and positive controls, respectively. Fluorescence was measured on the ENVISION plate reader (Perkin Elmer) using a 340/35 nm excitation filter and 520/525 (F-Bak peptide) and 495/510 nm (Tb-labeled anti-Histidine antibody) emission filters. B 11 pKi <0.01 nM Ki US-9174982-B2. Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases (2015)
ChEMBL Binding affinity to Bcl-2 (unknown origin) by TR-FRET assay B 11 pKi <0.01 nM Ki J Med Chem (2017) 60: 821-838 [PMID:27749061]
ChEMBL Inhibition of FAM-labelled Bax binding to Bcl2 (unknown origin) after 30 mins by fluorescence polarization assay B 8.13 pIC50 7.4 nM IC50 Eur J Med Chem (2018) 159: 149-165 [PMID:30278333]
ChEMBL Displacement of Bax-derived peptide from Bcl-2 (unknown origin) by fluorescence polarization assay B 8.13 pIC50 7.39 nM IC50 Bioorg Med Chem (2018) 26: 443-454 [PMID:29229225]
ChEMBL Inhibition of FAM-Bid binding to human BCL2 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assay B 9 pIC50 <1 nM IC50 ACS Med Chem Lett (2016) 7: 1185-1190 [PMID:27994761]
Bcl-2-like 2/Apoptosis regulator Bcl-W in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4677] [GtoPdb: 2846] [UniProtKB: Q92843]
GtoPdb - - 6.61 pKi 245 nM Ki Nat. Med. (2013) 19: 202-8 [PMID:23291630]
ChEMBL Binding affinity to Bcl-w (unknown origin) by TR-FRET assay B 6.61 pKi 245 nM Ki J Med Chem (2017) 60: 821-838 [PMID:27749061]
Bcl-2-like 1/Apoptosis regulator Bcl-X in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4625] [GtoPdb: 2845] [UniProtKB: Q07817]
ChEMBL Binding affinity to Bcl-XL (unknown origin) by FRET assay B 7.32 pKi 48 nM Ki Bioorg. Med. Chem. Lett. (2016) 26: 2105-2114 [PMID:26988306]
ChEMBL Binding affinity to His-tagged Bcl-XL (unknown origin) incubated for 30 mins by TR-FRET assay B 7.32 pKi 48 nM Ki MedChemComm (2016) 7: 778-787
ChEMBL Binding affinity to Bcl-xL (unknown origin) by TR-FRET assay B 7.32 pKi 48 nM Ki J Med Chem (2017) 60: 821-838 [PMID:27749061]
ChEMBL Inhibition of Bcl-xL (unknown origin) by TR-FRET assay B 7.32 pKi 48 nM Ki Eur J Med Chem (2018) 146: 471-482 [PMID:29407973]
ChEMBL Inhibition of Bcl-xL (unknown origin) B 7.32 pKi 48 nM Ki J Med Chem (2018) 61: 2636-2651 [PMID:28926247]
GtoPdb - - 7.32 pKi 48 nM Ki Nat. Med. (2013) 19: 202-8 [PMID:23291630]
MCL1 apoptosis regulator, BCL2 family member/Induced myeloid leukemia cell differentiation protein Mcl-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4361] [GtoPdb: 2847] [UniProtKB: Q07820]
ChEMBL Inhibition of FAM-Bid binding to human MCL1 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assay B 6.11 pKi >780 nM Ki ACS Med Chem Lett (2016) 7: 1185-1190 [PMID:27994761]
GtoPdb - - 6.35 pKi >444 nM Ki Nat. Med. (2013) 19: 202-8 [PMID:23291630]
ChEMBL Binding affinity to MCL1 (unknown origin) incubated for 30 mins by TR-FRET assay B 6.35 pKi >444 nM Ki MedChemComm (2016) 7: 778-787
ChEMBL Binding affinity to Mcl-1 (unknown origin) by TR-FRET assay B 6.35 pKi >444 nM Ki J Med Chem (2017) 60: 821-838 [PMID:27749061]
ChEMBL Inhibition of Mcl-1 (unknown origin) by TR-FRET assay B 6.35 pKi >444 nM Ki Eur J Med Chem (2018) 146: 471-482 [PMID:29407973]
ChEMBL Inhibition of FAM-Bid binding to human MCL1 expressed in Escherichia coli BL21 after 30 mins by fluorescence polarization assay B 5.4 pIC50 >4000 nM IC50 ACS Med Chem Lett (2016) 7: 1185-1190 [PMID:27994761]

ChEMBL data shown on this page come from version 26:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]