ABT-737 [Ligand Id: 8320] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL376408 (Abt 737, Abt-737, ABT-737) |
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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 | Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance analysis | B | 9.22 | pKd | 0.6 | nM | Kd | ACS Med Chem Lett (2013) 4: 186-190 [PMID:24900652] |
| ChEMBL | Inhibition of Bcl2 (unknown origin) | B | 6.55 | pKi | 283 | nM | Ki | Eur J Med Chem (2019) 177: 63-75 [PMID:31129454] |
| ChEMBL | Binding affinity to BCL2 (unknown origin) by fluorescence polarization assay | B | 6.92 | pKi | 120 | nM | Ki | Medchemcomm (2016) 7: 778-787 |
| ChEMBL | Inhibition of BCL-2 (unknown origin) by fluorescence polarization competition assay | B | 7.4 | pKi | <40 | nM | Ki | RSC Med Chem (2022) 13: 963-969 [PMID:36092148] |
| ChEMBL | Binding affinity to BCl2 | B | 8.1 | pKi | 8 | nM | Ki | J Med Chem (2010) 53: 6779-6810 [PMID:20925433] |
| GtoPdb | - | - | 9 | pKi | <1 | nM | Ki | J Med Chem (2007) 50: 641-62 [PMID:17256834] |
| ChEMBL | Binding affinity to Bcl-2 | B | 9 | pKi | <1 | nM | Ki | Eur J Med Chem (2012) 51: 286-293 [PMID:22425031] |
| ChEMBL | Binding affinity to Bcl2 | B | 9 | pKi | <1 | nM | Ki | Eur J Med Chem (2012) 57: 112-125 [PMID:23047228] |
| ChEMBL | Binding affinity to Bcl-2 | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2012) 55: 10735-10741 [PMID:23167494] |
| ChEMBL | Displacement of Bax-derived peptide from Bcl2 by fluorescence polarization assay | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2007) 50: 641-662 [PMID:17256834] |
| ChEMBL | Binding affinity to Bcl-2 (unknown origin) | B | 9 | pKi | <=1 | nM | Ki | Bioorg Med Chem (2014) 22: 4474-4489 [PMID:24811300] |
| ChEMBL | Inhibition of 5-FAM-Bid peptide binding to Bcl-2 (unknown origin) by fluorescence polarization assay | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem Lett (2016) 26: 5207-5211 [PMID:27712939] |
| ChEMBL | Inhibition of Bcl-2 (unknown origin) | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2017) 60: 821-838 [PMID:27749061] |
| ChEMBL | Inhibition of Bcl2 (unknown origin) | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2018) 61: 2636-2651 [PMID:28926247] |
| ChEMBL | Inhibition of BCL-2 (unknown origin) in presence of 10% human serum incubated for 15 mins by fluorescence polarization assay | B | 9 | pKi | <=1 | nM | Ki | Eur J Med Chem (2019) 167: 76-95 [PMID:30769242] |
| ChEMBL | Binding affinity to Bcl-2 (unknown origin) fluorescence polarization assay | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem (2013) 21: 11-20 [PMID:23206987] |
| ChEMBL | Binding affinity to BCL2 | B | 9 | pKi | <=1 | nM | Ki | Proc Natl Acad Sci U S A (2007) 104: 19512-19517 [PMID:18040043] |
| ChEMBL | Displacement of fluorescein labeled Bax peptide from Bcl2 by fluorescence polarization assay | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2008) 51: 6902-6915 [PMID:18841882] |
| ChEMBL | Binding affinity to Bcl-2 by competitive fluorescence polarization assay | B | 9 | pKi | <1 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 39-44 [PMID:22172701] |
| ChEMBL | Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay | B | 9.22 | pKi | <0.6 | nM | Ki | J Med Chem (2012) 55: 4664-4682 [PMID:22448988] |
| ChEMBL | Inhibition of Bcl-2/biotinylated BAK (unknown origin) interaction incubated for 1 hr by surface plasmon resonance analysis | B | 7.7 | pIC50 | 20 | nM | IC50 | ACS Med Chem Lett (2013) 4: 186-190 [PMID:24900652] |
| ChEMBL | Binding affinity to Bcl-2 (unknown origin) by surface plasmon resonance assay | B | 8.15 | pIC50 | 7 | nM | IC50 | J Med Chem (2013) 56: 5514-5540 [PMID:23767404] |
| ChEMBL | Displacement of wild type mBimBH3 from human Bcl-2 by solution competition assay | B | 8.21 | pIC50 | 6.1 | nM | IC50 | J Med Chem (2011) 54: 1914-1926 [PMID:21366295] |
| ChEMBL | Inhibition of biotin-linker-Beclin 1 BH3 peptide binding to human C-terminal 6His-tagged Bcl-2 (1 to 218 residues) expressed in Escherichia coli BL21 Star (DE3) pLysS measured after 3 hrs by AlphaLISA assay | B | 8.44 | pIC50 | 3.6 | nM | IC50 | ACS Med Chem Lett (2022) 13: 1510-1516 [PMID:36105331] |
| ChEMBL | Binding affinity to N-terminus 6X His-tagged human Bcl2 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay | B | 8.7 | pIC50 | 2 | nM | IC50 | J Med Chem (2012) 55: 4664-4682 [PMID:22448988] |
| ChEMBL | Inhibition of Bcl2 | B | 9 | pIC50 | <1 | nM | IC50 | Bioorg Med Chem (2012) 20: 4194-4200 [PMID:22739087] |
| ChEMBL | Inhibition of cell growth in human SUDHL4 cells overexpressing Bcl2 in presence of 10% HS | F | 6.07 | pEC50 | 850 | nM | EC50 | J Med Chem (2007) 50: 641-662 [PMID:17256834] |
| ChEMBL | Inhibition of cell growth in human SUDHL4 cells overexpressing Bcl2 in presence of 3% FBS | F | 6.66 | pEC50 | 220 | nM | EC50 | J Med Chem (2007) 50: 641-662 [PMID:17256834] |
| ChEMBL | Inhibition of cell growth in human RS11380 cells overexpressing Bcl2 in presence of 10% HS | F | 6.82 | pEC50 | 150 | nM | EC50 | J Med Chem (2007) 50: 641-662 [PMID:17256834] |
| ChEMBL | Inhibition of cell growth in human DoHH2 cells overexpressing Bcl2 in presence of 10% HS | F | 6.89 | pEC50 | 130 | nM | EC50 | J Med Chem (2007) 50: 641-662 [PMID:17256834] |
| ChEMBL | Reversal of cytokine withdrawal protection in IL3 dependent Bcl2 overexpressing mouse FL5.12 cells in presence of 3% FBS | F | 7.3 | pEC50 | 50 | nM | EC50 | J Med Chem (2007) 50: 641-662 [PMID:17256834] |
| ChEMBL | Inhibition of GST-tagged recombinant Bcl2 interaction with biotinylated Bim peptide by ELISA based competitive binding assay | B | 7.52 | pEC50 | <30 | nM | EC50 | Eur J Med Chem (2012) 57: 112-125 [PMID:23047228] |
| ChEMBL | Inhibition of cell growth in human RS11380 cells overexpressing Bcl2 in presence of 3% FBS | F | 7.85 | pEC50 | 14 | nM | EC50 | J Med Chem (2007) 50: 641-662 [PMID:17256834] |
| ChEMBL | Inhibition of cell growth in human DoHH2 cells overexpressing Bcl2 in presence of 3% FBS | F | 8.08 | pEC50 | 8.3 | nM | EC50 | J Med Chem (2007) 50: 641-662 [PMID:17256834] |
| ChEMBL | Reversal of cytokine withdrawal protection in IL3 dependent Bcl2 overexpressing mouse FL5.12 cells in presence of bovine gelatin | F | 8.1 | pEC50 | 8 | nM | EC50 | J Med Chem (2007) 50: 641-662 [PMID:17256834] |
| BCL2 apoptosis regulator/Apoptosis regulator Bcl-2 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3309111] [GtoPdb: 2844] [UniProtKB: P10417] | ||||||||
| 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 | 10.06 | pKi | 0.09 | nM | Ki | US-9125913-B2. Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases (2015) |
| Bcl-2-like 2/Apoptosis regulator Bcl-W in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4677] [GtoPdb: 2846] [UniProtKB: Q92843] | ||||||||
| ChEMBL | Inhibition of Bcl-w (unknown origin) | B | 6.55 | pKi | 285 | nM | Ki | Eur J Med Chem (2019) 177: 63-75 [PMID:31129454] |
| GtoPdb | - | - | 9 | pKi | <1 | nM | Ki | J Med Chem (2007) 50: 641-62 [PMID:17256834] |
| ChEMBL | Binding affinity to Bcl-w | B | 9 | pKi | <1 | nM | Ki | Eur J Med Chem (2012) 57: 112-125 [PMID:23047228] |
| ChEMBL | Binding affinity to Bcl-w (unknown origin) | B | 9 | pKi | <=1 | nM | Ki | Bioorg Med Chem (2014) 22: 4474-4489 [PMID:24811300] |
| ChEMBL | Inhibition of Bcl-w (unknown origin) | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2017) 60: 821-838 [PMID:27749061] |
| ChEMBL | Inhibition of BCL-W (unknown origin) in presence of 10% human serum incubated for 15 mins by fluorescence polarization assay | B | 9 | pKi | <=1 | nM | Ki | Eur J Med Chem (2019) 167: 76-95 [PMID:30769242] |
| ChEMBL | Binding affinity to Bcl-w (unknown origin) by surface plasmon resonance assay | B | 7.18 | pIC50 | 66 | nM | IC50 | J Med Chem (2013) 56: 5514-5540 [PMID:23767404] |
| ChEMBL | Displacement of wild type mBimBH3 from human Bcl-w by solution competition assay | B | 7.4 | pIC50 | 40 | nM | IC50 | J Med Chem (2011) 54: 1914-1926 [PMID:21366295] |
| ChEMBL | Inhibition of Bcl-w | B | 9 | pIC50 | <1 | nM | IC50 | Bioorg Med Chem (2012) 20: 4194-4200 [PMID:22739087] |
| 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 | B | 9.43 | pKd | 0.37 | nM | Kd | J Med Chem (2011) 54: 1914-1926 [PMID:21366295] |
| ChEMBL | Binding affinity to human GST-tagged Bcl-Xl assessed as dissociation rate by surface plasmon resonance assay | B | 9.89 | pKd | 0.13 | nM | Kd | J Med Chem (2013) 56: 5514-5540 [PMID:23767404] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 Y101H mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 6.42 | pKi | 380 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 F97V mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 6.52 | pKi | 300 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 L130G mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 6.54 | pKi | 290 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Inhibition of Bcl-xL (unknown origin) | B | 6.55 | pKi | 284 | nM | Ki | Eur J Med Chem (2019) 177: 63-75 [PMID:31129454] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 A142T mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 6.57 | pKi | 270 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 V141A mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 6.72 | pKi | 190 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Inhibition of recombinant His6-tagged Bcl-XL expressed in Escherichia coli BL21 (DE3) and Flu-Bak peptide interaction by fluorescence polarization assay | B | 6.72 | pKi | 188.4 | nM | Ki | J Med Chem (2009) 52: 5937-5949 [PMID:19743858] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 R100E mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 6.8 | pKi | 160 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 L130A mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 7.14 | pKi | 73 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Binding affinity to Bcl-XL (unknown origin) by fluorescence polarization assay | B | 7.19 | pKi | 64 | nM | Ki | Medchemcomm (2016) 7: 778-787 |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 L130V mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 7.24 | pKi | 58 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Inhibition of BCL-xL (unknown origin) by fluorescence polarization competition assay | B | 7.4 | pKi | <40 | nM | Ki | RSC Med Chem (2022) 13: 963-969 [PMID:36092148] |
| ChEMBL | Binding affinity to Bcl-xl | B | 7.52 | pKi | 30 | nM | Ki | J Med Chem (2010) 53: 6779-6810 [PMID:20925433] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 A142G mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 7.68 | pKi | 21 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 E96G mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 8.24 | pKi | 5.8 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 E129H mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 8.35 | pKi | 4.5 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Wild type Bcl-2-like protein 1 expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 8.47 | pKi | 3.4 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 Y195F mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 8.82 | pKi | 1.5 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 A93V mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 8.85 | pKi | 1.4 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Displacement of BODIPY-Bak conjugated peptide from GST-tagged human Bcl-2-like protein 1 G196A mutant expressed in Escherichia coli BL21 cells at 10 uM after 3 hrs by fluorescence polarization competition assay | B | 9 | pKi | <1 | nM | Ki | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Binding affinity to Bcl-xL by competitive fluorescence polarization assay | B | 9 | pKi | <1 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 39-44 [PMID:22172701] |
| ChEMBL | Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2012) 55: 4664-4682 [PMID:22448988] |
| ChEMBL | Inhibition of human N-terminal His8-tagged Bcl-XL expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BAK binding after 1 to 2 hrs by fluorescence polarization assay | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2012) 55: 6149-6161 [PMID:22747598] |
| ChEMBL | Binding affinity to Bcl-XL | B | 9 | pKi | <1 | nM | Ki | Eur J Med Chem (2012) 57: 112-125 [PMID:23047228] |
| ChEMBL | Binding affinity to Bcl-XL | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2012) 55: 10735-10741 [PMID:23167494] |
| ChEMBL | Binding affinity to Bcl-xL (unknown origin) | B | 9 | pKi | <=1 | nM | Ki | Bioorg Med Chem (2014) 22: 4474-4489 [PMID:24811300] |
| ChEMBL | Displacement of fluorescein-labeled BAK from His-tagged BCL-XL (unknown origin) after 1 hr by fluorescence polarization assay | B | 9 | pKi | <1 | nM | Ki | J Nat Prod (2014) 77: 1430-1437 [PMID:24901800] |
| ChEMBL | Inhibition of Bcl-xL (unknown origin) | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2017) 60: 821-838 [PMID:27749061] |
| ChEMBL | Inhibition of Bcl-xL (unknown origin) | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2018) 61: 2636-2651 [PMID:28926247] |
| ChEMBL | Inhibition of BCL-XL (unknown origin) in presence of 10% human serum incubated for 15 mins by fluorescence polarization assay | B | 9 | pKi | <=1 | nM | Ki | Eur J Med Chem (2019) 167: 76-95 [PMID:30769242] |
| ChEMBL | Inhibition of 5-FAM-Bid peptide binding to Bcl-XL (unknown origin) by fluorescence polarization assay | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem Lett (2016) 26: 5207-5211 [PMID:27712939] |
| GtoPdb | - | - | 9.3 | pKi | <0.5 | nM | Ki | J Med Chem (2007) 50: 641-62 [PMID:17256834] |
| ChEMBL | Binding affinity to human GST-tagged Bcl-Xl by fluorescence polarization assay | B | 9.3 | pKi | <0.5 | nM | Ki | J Med Chem (2013) 56: 5514-5540 [PMID:23767404] |
| ChEMBL | Binding affinity to Bcl-xL | B | 9.3 | pKi | <0.5 | nM | Ki | Eur J Med Chem (2012) 51: 286-293 [PMID:22425031] |
| ChEMBL | Displacement of Bad-derived peptide from Bcl-xL by fluorescence polarization assay | B | 9.3 | pKi | <0.5 | nM | Ki | J Med Chem (2007) 50: 641-662 [PMID:17256834] |
| ChEMBL | Inhibition of Bcl-xL | B | 7.19 | pIC50 | 64 | nM | IC50 | J Med Chem (2010) 53: 2577-2588 [PMID:20192224] |
| ChEMBL | Displacement of Bad-derived peptide from Bcl-xL by FPA in presence of 10% human serum | B | 7.22 | pIC50 | <60 | nM | IC50 | J Med Chem (2007) 50: 641-662 [PMID:17256834] |
| ChEMBL | Inhibition of Bcl-xL (unknown origin) by surface plasmon resonance assay | B | 7.85 | pIC50 | 14 | nM | IC50 | J Med Chem (2020) 63: 928-943 [PMID:31580668] |
| ChEMBL | Binding affinity to human GST-tagged Bcl-Xl by surface plasmon resonance assay | B | 7.85 | pIC50 | 14 | nM | IC50 | J Med Chem (2013) 56: 5514-5540 [PMID:23767404] |
| ChEMBL | Binding affinity to N-terminus 8X His-tagged human Bcl-xL expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay | B | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (2012) 55: 4664-4682 [PMID:22448988] |
| ChEMBL | Inhibition of human N-terminal His8-tagged Bcl-XL expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BAK binding after 1 to 2 hrs by fluorescence polarization assay | B | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (2012) 55: 6149-6161 [PMID:22747598] |
| ChEMBL | Inhibition of GST-tagged Bcl-xL (unknown origin) measured after 1 hr incubation by fluorescence polarization assay | B | 8.22 | pIC50 | 6 | nM | IC50 | Bioorg Med Chem (2015) 23: 1747-1757 [PMID:25797160] |
| ChEMBL | Displacement of biotinylated Bim-BH3 from GST-tagged Bcl-Xl by AlphaScreen competitive assay | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2011) 54: 1914-1926 [PMID:21366295] |
| ChEMBL | Inhibition of Bcl-XL | B | 9 | pIC50 | <1 | nM | IC50 | Bioorg Med Chem (2012) 20: 4194-4200 [PMID:22739087] |
| ChEMBL | Binding affinity to human GST-tagged Bcl-Xl by luminescence proximity assay | B | 9.3 | pIC50 | 0.5 | nM | IC50 | J Med Chem (2013) 56: 5514-5540 [PMID:23767404] |
| ChEMBL | Reversal of cytokine withdrawal protection in IL3 dependent Bcl-xL overexpressing mouse FL5.12 cells in presence of bovine gelatin | F | 7.52 | pEC50 | 30 | nM | EC50 | J Med Chem (2007) 50: 641-662 [PMID:17256834] |
| ChEMBL | Inhibition of Bcl-XL | B | 7.52 | pEC50 | 29.99 | nM | EC50 | Eur J Med Chem (2010) 45: 4774-4782 [PMID:20728251] |
| ChEMBL | Inhibition of GST-tagged recombinant Bcl-XL interaction with biotinylated Bim peptide by ELISA based competitive binding assay | B | 8 | pEC50 | <10 | nM | EC50 | Eur J Med Chem (2012) 57: 112-125 [PMID:23047228] |
| 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 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 | 5.35 | pIC50 | 4470 | 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 | 5.47 | pIC50 | 3380 | 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 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 | 5.52 | pIC50 | 2990 | 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 | 5.53 | pIC50 | 2920 | 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 | Displacement of fluorescein labeled BAD peptide from Bcl-XL by fluorescence polarization assay | B | 9 | pKi | <1 | nM | Ki | J Med Chem (2008) 51: 6902-6915 [PMID:18841882] |
| ChEMBL | Binding affinity to Bcl-XL assessed as inhibition of Bcl-XL-BAD derived peptide interaction | B | 9.22 | pKi | 0.6 | nM | Ki | Nature (2007) 450: 1001-1009 [PMID:18075579] |
| Bcl-2-like 1 in Human [GtoPdb: 2845] [UniProtKB: Q07817] | ||||||||
| GtoPdb | - | - | 9.3 | pKi | <0.5 | nM | Ki | J Med Chem (2007) 50: 641-62 [PMID:17256834] |
| Bcl-2-like 1/Bcl-2-like protein 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3309112] [GtoPdb: 2845] [UniProtKB: Q64373] | ||||||||
| 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 | 10.1 | pKi | 0.08 | nM | Ki | US-9125913-B2. Bcl-2-selective apoptosis-inducing agents for the treatment of cancer and immune diseases (2015) |
| Bcl-2-like protein 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5988] [UniProtKB: Q9HD36] | ||||||||
| ChEMBL | Binding affinity to Bcl-b (unknown origin) | B | 9 | pKi | >1 | nM | Ki | Bioorg Med Chem (2014) 22: 4474-4489 [PMID:24811300] |
| Bcl-2-related protein A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6044] [UniProtKB: Q16548] | ||||||||
| ChEMBL | Binding affinity for GST-tagged human BCL2A1 expressed in Escherichia coli BL21 cells | B | 6 | pKd | >1000 | nM | Kd | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| ChEMBL | Binding affinity to Bcl2A1 (unknown origin) | B | 4.7 | pKi | >20000 | nM | Ki | J Med Chem (2017) 60: 821-838 [PMID:27749061] |
| Beta-casein in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3313833] [UniProtKB: P02666] | ||||||||
| ChEMBL | Binding affinity to bovine beta-casein A1 | B | 9 | pKi | >1 | nM | Ki | Bioorg Med Chem (2014) 22: 4474-4489 [PMID:24811300] |
| 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 | Binding affinity to Mcl-1 by competitive fluorescence polarization assay | B | 4 | pKi | >100000 | nM | Ki | Bioorg Med Chem Lett (2012) 22: 39-44 [PMID:22172701] |
| ChEMBL | Displacement of fluorescein-labeled BID from His-tagged MCL-1 (unknown origin) after 1 hr by fluorescence polarization assay | B | 4.68 | pKi | 20800 | nM | Ki | J Nat Prod (2014) 77: 1430-1437 [PMID:24901800] |
| ChEMBL | Binding affinity to Mcl-1 | B | 4.7 | pKi | >20000 | nM | Ki | Eur J Med Chem (2012) 51: 286-293 [PMID:22425031] |
| ChEMBL | Inhibition of 5-FAM-Bid peptide binding to MCL-1 (unknown origin) by fluorescence polarization assay | B | 4.7 | pKi | >20000 | nM | Ki | Bioorg Med Chem Lett (2016) 26: 5207-5211 [PMID:27712939] |
| ChEMBL | Binding affinity to Mcl-1 (unknown origin) | B | 4.7 | pKi | >20000 | nM | Ki | J Med Chem (2017) 60: 821-838 [PMID:27749061] |
| ChEMBL | Binding affinity to induced myeloid leukemia cell differentiation protein 1 (unknown origin) | B | 9 | pKi | >1 | nM | Ki | Bioorg Med Chem (2014) 22: 4474-4489 [PMID:24811300] |
| ChEMBL | Displacement of wild type mBimBH3 from Mcl-1 by solution competition assay | B | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (2011) 54: 1914-1926 [PMID:21366295] |
| ChEMBL | Binding affinity to N-terminus 8X His-tagged human Mcl1 expressed in Escherichia coli BL21 (DE3) cells after 2 hrs by fluorescence polarization assay | B | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (2012) 55: 4664-4682 [PMID:22448988] |
| ChEMBL | Inhibition of human N-terminal His8-tagged Mcl1 expressed in Escherichia coli BL21(DE3) assessed as inhibition of Fluorescein-labeled BID binding after 1 to 2 hrs by fluorescence polarization assay | B | 6 | pIC50 | >1000 | nM | IC50 | J Med Chem (2012) 55: 6149-6161 [PMID:22747598] |
| ChEMBL | Binding affinity to MCL1 (unknown origin) by fluorescence polarization assay | B | 6 | pIC50 | >1000 | nM | IC50 | Medchemcomm (2016) 7: 778-787 |
| MCL1 apoptosis regulator, BCL2 family member/Induced myeloid leukemia cell differentiation protein Mcl-1 homolog in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5768] [GtoPdb: 2847] [UniProtKB: P97287] | ||||||||
| ChEMBL | Binding affinity for GST-tagged mouse MCL1 expressed in Escherichia coli BL21 cells | B | 6 | pKd | >1000 | nM | Kd | Bioorg Med Chem Lett (2011) 21: 4951-4955 [PMID:21807512] |
| MCL1 apoptosis regulator, BCL2 family member/MCL1-BAK1 complex in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3885523] [GtoPdb: 2847] [UniProtKB: Q07820, Q16611] | ||||||||
| ChEMBL | Inhibition of Mcl1-BAK interaction | B | 4.3 | pIC50 | >50000 | nM | IC50 | ACS Med Chem Lett (2012) 3: 579-583 [PMID:24900514] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]
