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ChEMBL ligand: CHEMBL3137309 (ABT-199, GDC-0199, RG-7601, RG7601, Venclexta, Venetoclax) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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BCL2 apoptosis regulator/Apoptosis regulator Bcl-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4860] [GtoPdb: 2844] [UniProtKB: P10415] | ||||||||
ChEMBL | Binding affinity to human full-length N-terminal His6-tagged prephosphorylated Bcl2 (2 to 206 residues) expressed in Escherichia coli S12 extract by isothermal titration calorimetry | B | 6.15 | pKd | 705 | nM | Kd | J Med Chem (2020) 63: 13733-13744 [PMID:33197310] |
ChEMBL | Binding affinity to human full-length N-terminal His6-tagged Bcl2 (2 to 206 residues) expressed in Escherichia coli S12 extract by isothermal titration calorimetry | B | 8.51 | pKd | 3.1 | nM | Kd | J Med Chem (2020) 63: 13733-13744 [PMID:33197310] |
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 full length human Bcl-2 expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant preincubated for 30 mins followed by 5-FAM-QEDIIIINIARHLAQVGDSMD-RSIPPG tracer addition and measured after 20 mins by fluorescence polarization assay | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2021) 64: 10260-10285 [PMID:34228434] |
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) |
ChEMBL | Inhibition of wild-type BCL-2 (unknown origin) expressed in Escherichia coli BL21 cells using biotinylated BIMBH3 or BAXBH3 peptide by surface plasmon resonance assay | B | 10.74 | pKi | 0.02 | nM | Ki | J Med Chem (2020) 63: 928-943 [PMID:31580668] |
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 Bcl2 (unknown origin) | B | 11 | pKi | <0.01 | nM | Ki | J Med Chem (2018) 61: 2636-2651 [PMID:28926247] |
ChEMBL | Inhibition of Bcl2 (unknown origin) | B | 11 | pKi | <0.01 | nM | Ki | Eur J Med Chem (2019) 177: 63-75 [PMID:31129454] |
ChEMBL | Inhibition of BCL2 (unknown origin) by TR-FRET assay | B | 11 | pKi | <0.01 | nM | Ki | J Med Chem (2020) 63: 11420-11435 [PMID:32539387] |
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 | 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 | 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: 6421-6467 [PMID:29620890] |
ChEMBL | Inhibition of FAM-Bid peptide binding to Bcl2 (unknown origin) by fluorescence polarization assay | B | 6.64 | pIC50 | 230 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 349-352 [PMID:30594434] |
ChEMBL | Inhibition of FAM-Bim peptide binding to human Bcl-2 (2 to 206) measured after 30 mins by fluorescence polarization assay | B | 7 | pIC50 | >100 | nM | IC50 | Eur J Med Chem (2021) 220: 113452-113452 [PMID:33906046] |
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] |
ChEMBL | Displacement of Bak derived peptide from Bcl-2 (unknown origin) measured after 15 mins by microplate reader assay | B | 9 | pIC50 | 1 | nM | IC50 | Bioorg Med Chem (2021) 47: 116350-116350 [PMID:34536651] |
ChEMBL | Inhibition of BCL-2 (unknown origin) by fluorescence polarization assay | B | 8.52 | pEC50 | 3 | nM | EC50 | Eur J Med Chem (2019) 167: 76-95 [PMID:30769242] |
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] |
ChEMBL | Binding affinity to Bc1-xL (unknown origin) by fluorescence polarization competition assay | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem Lett (2021) 47: 128215-128215 [PMID:34153472] |
ChEMBL | Binding affinity to full length human Bcl-xl expressed in Escherichia coli BL21 (DE3) assessed as inhibition constant preincubated for 30 mins followed by 5-FAM-QEDIIIINIARHLAQVGDSMD-RSIPPG tracer addition and measured after 20 mins by fluorescence polarization assay | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2021) 64: 10260-10285 [PMID:34228434] |
ChEMBL | Displacement of Bak derived peptide from Bcl-xL (unknown origin) measured after 15 mins by microplate reader assay | B | 6.8 | pIC50 | 157 | nM | IC50 | Bioorg Med Chem (2021) 47: 116350-116350 [PMID:34536651] |
Aspartyl/asparaginyl beta-hydroxylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4680030] [UniProtKB: Q12797] | ||||||||
ChEMBL | Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using high 10 uM hFX-CP as substrate mixture with 10 uM 2OG, 100 uM L-ascorbic acid and 2 uM FAS incubated for 35 mins by MS analysis | B | 5.8 | pIC50 | 1570 | nM | IC50 | Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066] |
ChEMBL | Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using 1 uM hFX-CP as substrate mixture with high 200 uM 2OG, 100 uM L-ascorbic acid and 2 uM FAS incubated for 35 mins by MS analysis | B | 5.82 | pIC50 | 1520 | nM | IC50 | Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066] |
ChEMBL | Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using 1 uM hFX-CP as substrate mixture with 3 uM 2OG, 100 uM L-ascorbic acid and 2 uM FAS incubated for 35 mins by MS analysis | B | 5.85 | pIC50 | 1400 | nM | IC50 | Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066] |
ChEMBL | Inhibition of N-His6-tagged human AspH (315-755) expressed in Escherichia coli BL21 (DE3) using 1 uM hFX-CP as substrate mixture with 3 uM 2OG, 100 uM L-ascorbic acid and high 20 uM FAS incubated for 35 mins by MS analysis | B | 5.89 | pIC50 | 1290 | nM | IC50 | Bioorg Med Chem (2020) 28: 115675-115675 [PMID:33069066] |
Bcl2-antagonist of cell death (BAD) in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3817] [UniProtKB: Q92934] | ||||||||
ChEMBL | Binding affinity to Bcl-2 (unknown origin) by fluorescence polarization competition assay | B | 4.8 | pKi | 16000 | nM | Ki | Bioorg Med Chem Lett (2021) 47: 128215-128215 [PMID:34153472] |
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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]