inobrodib [Ligand Id: 13063] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL4785363 (Ccs 1477, Ccs1477, CCS-1477, CCS1477, Inobrodib)
  • bromodomain containing 2/Bromodomain-containing protein 2 in Human [ChEMBL: CHEMBL1293289] [GtoPdb: 1944] [UniProtKB: P25440]
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  • bromodomain containing 3/Bromodomain-containing protein 3 in Human [ChEMBL: CHEMBL1795186] [GtoPdb: 2725] [UniProtKB: Q15059]
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  • bromodomain containing 4/Bromodomain-containing protein 4 in Human [ChEMBL: CHEMBL1163125] [GtoPdb: 1945] [UniProtKB: O60885]
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  • bromodomain containing 9/Bromodomain-containing protein 9 in Human [ChEMBL: CHEMBL3108640] [GtoPdb: 2728] [UniProtKB: Q9H8M2]
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  • bromodomain testis associated/Bromodomain testis-specific protein in Human [ChEMBL: CHEMBL1795185] [GtoPdb: 2729] [UniProtKB: Q58F21]
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  • CREB binding protein/CREB-binding protein in Human [ChEMBL: CHEMBL5747] [GtoPdb: 2734] [UniProtKB: Q92793]
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  • E1A binding protein p300 in Human [GtoPdb: 2735] [UniProtKB: Q09472]
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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 Binding affinity to His6-tagged human BRD2 bromodomain-1 (77 to 194 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis B 6.41 pKd 390 nM Kd J Med Chem (2022) 65: 785-810 [PMID:34962793]
bromodomain containing 3/Bromodomain-containing protein 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795186] [GtoPdb: 2725] [UniProtKB: Q15059]
ChEMBL Binding affinity to His6-tagged human BRD3 bromodomain-2 (306 to 416 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis B 5.82 pKd 1510 nM Kd J Med Chem (2022) 65: 785-810 [PMID:34962793]
ChEMBL Binding affinity to His6-tagged human BRD3 bromodomain-1 (24 to 144 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis B 6.25 pKd 560 nM Kd J Med Chem (2022) 65: 785-810 [PMID:34962793]
bromodomain containing 4/Bromodomain-containing protein 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1163125] [GtoPdb: 1945] [UniProtKB: O60885]
ChEMBL Binding affinity to His6-tagged human BRD4 bromodomain-1 (44 to 168 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis B 6.44 pKd 360 nM Kd J Med Chem (2022) 65: 785-810 [PMID:34962793]
bromodomain containing 9/Bromodomain-containing protein 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3108640] [GtoPdb: 2728] [UniProtKB: Q9H8M2]
ChEMBL Binding affinity to His6-tagged human BRD9 bromodomain (14 to 134 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis B 5.58 pKd 2610 nM Kd J Med Chem (2022) 65: 785-810 [PMID:34962793]
bromodomain testis associated/Bromodomain testis-specific protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795185] [GtoPdb: 2729] [UniProtKB: Q58F21]
ChEMBL Binding affinity to His6-tagged human BRDT bromodomain-1 (21 to 137 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis B 5.95 pKd 1120 nM Kd J Med Chem (2022) 65: 785-810 [PMID:34962793]
CREB binding protein/CREB-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5747] [GtoPdb: 2734] [UniProtKB: Q92793]
GtoPdb Binding affinity for recombinant hCBP bromodomain determined by isothermal titration calorimetry (ITC). - 7.85 pKd 14 nM Kd J Med Chem (2022) 65: 785-810 [PMID:34962793]
ChEMBL Binding affinity to His6-tagged human CBP bromodomain (1081 to 1197 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by ITC analysis B 7.85 pKd 14 nM Kd J Med Chem (2022) 65: 785-810 [PMID:34962793]
GtoPdb Binding affinity for hCBP bromodomain determined by surface plasmon resonance (SPR). - 8.77 pKd 1.7 nM Kd Cancer Discov (2021) 11: 1118-1137 [PMID:33431496]
ChEMBL Inhibition of His6-tagged human CBP bromodomain (1081 to 1197 residues) expressed in Escherichia coli BL21 (DE3) incubated for 30 mins by HTRF assay B 8.69 pIC50 2.05 nM IC50 J Med Chem (2022) 65: 785-810 [PMID:34962793]
E1A binding protein p300 in Human [GtoPdb: 2735] [UniProtKB: Q09472]
GtoPdb Binding affinity for human p300 bromodomain determined by surface plasmon resonance (SPR) - 8.77 pKd 1.7 nM Kd Cancer Discov (2021) 11: 1118-1137 [PMID:33431496]
GtoPdb Inhibition of histone binding determined in a cell-based BRET assay. - 7.72 pIC50 19 nM IC50 Cancer Discov (2021) 11: 1118-1137 [PMID:33431496]

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]