BMS-986158 [Ligand Id: 11757] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL4297458 (Bet inhibitor bms-986158, Bms-986158, BMS-986158, Ezobresib) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| bromodomain containing 2/Bromodomain-containing protein 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293289] [GtoPdb: 1944] [UniProtKB: P25440] | ||||||||
| ChEMBL | Inhibition of human BRD2 measured by TR-FRET assay | B | 8.85 | pIC50 | 1.4 | nM | IC50 | J Med Chem (2021) 64: 14247-14265 [PMID:34543572] |
| bromodomain containing 3/Bromodomain-containing protein 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795186] [GtoPdb: 2725] [UniProtKB: Q15059] | ||||||||
| ChEMBL | Inhibition of human BRD3 measured by TR-FRET assay | B | 8.96 | pIC50 | 1.1 | nM | IC50 | J Med Chem (2021) 64: 14247-14265 [PMID:34543572] |
| bromodomain containing 4/Bromodomain-containing protein 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1163125] [GtoPdb: 1945] [UniProtKB: O60885] | ||||||||
| ChEMBL | TR-FRET Assay: All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-477 and 44-460). The final concentrations of the bromodomain proteins are 1.6 nM BRD4(44-168), 1 nM BRD4(333-460), and 1 nM BRD4(1-477 or 44-460), and the fluorescent probe molecule is 100 nM, 50 nM, and 7.5 nM respectively. All proteins were biotinylated. A streptavidin labeled with terbium cryptate (Cisbio SA-Tb) was used as detection, and pre-mixed with the bromodomain protein at a final concentration of 0.2 nM. In some instances for BRD4 (44-460), anti-His terbium cryptate was used as a detection. 7.5 nl of dose-responsed test compound or dmso vehicle (0.0375%) was pre-spotted in a black Corning 384 well plate and 10 ul each of bromodomain/detection reagent and fluorescent small molecule solution were added to the plate, and the reaction incubated for 60 min at room temperature. Plates were then read on EnVision plate reader, (λex=340 nm, acceptor λEm=520 nm, and donor λEm=615 nm, LANCE D400 mirror). Time resolved fluorescence intensity measurements were made at both emissions, and the ratio of acceptor/donor was calculated and used for data analysis. | B | 8.3 | pIC50 | <5 | nM | IC50 | US-10112941-B2. Tricyclic compounds as anticancer agents (2018) |
| ChEMBL | Inhibition of human BRD4 (1 to 477 residues) measured after 60 mins by TR-FRET assay | B | 8.96 | pIC50 | 1.1 | nM | IC50 | J Med Chem (2021) 64: 14247-14265 [PMID:34543572] |
| ChEMBL | Inhibition of N-terminal His6-tagged recombinant human BRD4 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) incubated for 60 mins by TR-FRET assay | B | 8.96 | pIC50 | 1.1 | nM | IC50 | ACS Med Chem Lett (2022) 13: 1165-1171 [PMID:35859878] |
| GtoPdb | Time-resolved FRET binding assay using hBRD4 BD-1 bromodomain. | - | 8.96 | pIC50 | 1.1 | nM | IC50 | J Med Chem (2009) 52: 6527-30 [PMID:19821562] |
| ChEMBL | Inhibition of BRD4 (unknown origin) | B | 9.1 | pIC50 | 0.8 | nM | IC50 | Bioorg Med Chem Lett (2021) 51: 128376-128376 [PMID:34560263] |
| Myc proto-oncogene protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250348] [UniProtKB: P01106] | ||||||||
| ChEMBL | Inhibition of c-MYC (unknown origin) | B | 9.15 | pIC50 | 0.7 | nM | IC50 | Bioorg Med Chem Lett (2021) 51: 128376-128376 [PMID:34560263] |
| Kv11.1/Voltage-gated inwardly rectifying potassium channel KCNH2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | Inhibition of human ERG by flux assay | B | 4.1 | pIC50 | >80000 | nM | IC50 | J Med Chem (2021) 64: 14247-14265 [PMID:34543572] |
| ChEMBL | Inhibition of human ERG by patch-clamp assay | B | 4.55 | pIC50 | 28000 | nM | IC50 | J Med Chem (2021) 64: 14247-14265 [PMID:34543572] |
ChEMBL data shown on this page come from version 36:
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]
