ABBV-744 [Ligand Id: 10730] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL4297454 (Abbv-744, ABBV-744)
  • 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 testis associated/Bromodomain testis-specific protein in Human [ChEMBL: CHEMBL1795185] [GtoPdb: 2729] [UniProtKB: Q58F21]
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  • histone deacetylase 1/Histone deacetylase 1 in Human [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
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  • histone deacetylase 6/Histone deacetylase 6 in Human [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
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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 N-terminal His6-tagged human BRD2 BD1 (73 to 194 residues) after 1 hr by TR-FRET assay B 5.93 pKi 1162 nM Ki J Med Chem (2020) 63: 5585-5623 [PMID:32324999]
ChEMBL Inhibition of N-terminal His6-tagged human BRD2 BD2 (348 to 455 residues) after 1 hr by TR-FRET assay B 8.34 pKi 4.6 nM Ki J Med Chem (2020) 63: 5585-5623 [PMID:32324999]
ChEMBL Inhibition of C-terminal His6-tagged BRD2 BD2 (unknown origin) using H-YSGRGK(Ac)GGK(Ac)GLGK(Ac)-GGAK(Ac)RHRK-Biotin-OH as substrate incubated for 1 hrs by HTRF assay B 9.04 pIC50 0.92 nM IC50 J Med Chem (2022) 65: 5760-5799 [PMID:35333526]
bromodomain containing 3/Bromodomain-containing protein 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795186] [GtoPdb: 2725] [UniProtKB: Q15059]
ChEMBL Inhibition of BRD3 BD1 (unknown origin) after 1 hr by TR-FRET assay B 5.5 pKi 3140 nM Ki J Med Chem (2020) 63: 5585-5623 [PMID:32324999]
ChEMBL Inhibition of BRD3 BD2 (unknown origin) after 1 hr by TR-FRET assay B 8.31 pKi 4.9 nM Ki J Med Chem (2020) 63: 5585-5623 [PMID:32324999]
ChEMBL Inhibition of C-terminal His6-tagged BRD3 BD2 (unknown origin) using H-YSGRGK(Ac)GGK(Ac)GLGK(Ac)-GGAK(Ac)RHRK-Biotin-OH as substrate incubated for 1 hrs by HTRF assay B 9.06 pIC50 0.88 nM IC50 J Med Chem (2022) 65: 5760-5799 [PMID:35333526]
bromodomain containing 4/Bromodomain-containing protein 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1163125] [GtoPdb: 1945] [UniProtKB: O60885]
ChEMBL Binding affinity to BRD4 BD1 (unknown origin) assessed as dissociation constant by Discover X assay B 5.48 pKd 3300 nM Kd J Med Chem (2021) 64: 10497-10511 [PMID:34236185]
ChEMBL Inhibition of BRD4-BD1 (unknown origin) assessed as dissociation constant by TR-FRET method B 6.28 pKd 520 nM Kd J Med Chem (2022) 65: 5660-5674 [PMID:35348328]
ChEMBL Binding affinity to human partial length BRD4 BD2 expressed in bacterial expression system assessed as dissociation constant by BROMOscan assay B 8.68 pKd 2.1 nM Kd J Med Chem (2021) 64: 10497-10511 [PMID:34236185]
ChEMBL Inhibition of BRD4-BD2 (unknown origin) assessed as dissociation constant by TR-FRET method B 8.8 pKd 1.6 nM Kd J Med Chem (2022) 65: 5660-5674 [PMID:35348328]
ChEMBL Inhibition of human N-terminal His6 tagged BRD4 BD1 (57 to 168) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay B 6.28 pKi 520 nM Ki J Med Chem (2020) 63: 5585-5623 [PMID:32324999]
ChEMBL Inhibition of BRD4 BD2 (unknown origin) B 6.28 pKi 520 nM Ki J Med Chem (2021) 64: 2419-2435 [PMID:33616410]
ChEMBL Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay B 8.8 pKi 1.6 nM Ki J Med Chem (2020) 63: 5585-5623 [PMID:32324999]
ChEMBL Inhibition of BRD4 BD1 (unknown origin) B 8.8 pKi 1.6 nM Ki J Med Chem (2021) 64: 2419-2435 [PMID:33616410]
ChEMBL Inhibition of NanoLuc-tagged BRD4 BD1 (unknown origin) expressed in human HeLa cells after 2 hrs by NanoBRET assay B 4.68 pIC50 20700 nM IC50 J Med Chem (2020) 63: 5585-5623 [PMID:32324999]
ChEMBL Inhibition of His-tagged BRD4 bromodomain 1 (unknown origin) using [Lys (5,8,12,16) Ac] H4(1-21) as substrate by fluorescence based assay B 6.48 pIC50 327.5 nM IC50 Eur J Med Chem (2021) 209: 112868-112868 [PMID:33077265]
ChEMBL Inhibition of BRD4-BD1 (unknown origin) preincubated for 30 mins followed by substrate addition and measured after 3 hr by HTRF assay B 6.52 pIC50 299.75 nM IC50 Eur J Med Chem (2022) 236: 114259-114259 [PMID:35395439]
ChEMBL Inhibition of C-terminal His6-tagged BRD4 BD1 (unknown origin) using H-YSGRGK(Ac)GGK(Ac)GLGK(Ac)-GGAK(Ac)RHRK-Biotin-OH as substrate incubated for 1 hrs by HTRF assay B 6.62 pIC50 238 nM IC50 J Med Chem (2022) 65: 5760-5799 [PMID:35333526]
ChEMBL Inhibition of NanoLuc-tagged BRD4 BD2 (unknown origin) expressed in human HeLa cells after 2 hrs by NanoBRET assay B 7.56 pIC50 27.5 nM IC50 J Med Chem (2020) 63: 5585-5623 [PMID:32324999]
ChEMBL Inhibition of His-tagged BRD4 bromodomain 2 (unknown origin) using [Lys (5,8,12,16) Ac] H4(1-21) as substrate by fluorescence based assay B 8.48 pIC50 3.3 nM IC50 Eur J Med Chem (2021) 209: 112868-112868 [PMID:33077265]
ChEMBL Inhibition of BRD4-BD2 (unknown origin) preincubated for 30 mins followed by substrate addition and measured after 3 hr by HTRF B 8.75 pIC50 1.78 nM IC50 Eur J Med Chem (2022) 236: 114259-114259 [PMID:35395439]
ChEMBL Inhibition of C-terminal His6-tagged BRD4 BD2 (unknown origin) using H-YSGRGK(Ac)GGK(Ac)GLGK(Ac)-GGAK(Ac)RHRK-Biotin-OH as substrate incubated for 1 hrs by HTRF assay B 9.19 pIC50 0.65 nM IC50 J Med Chem (2022) 65: 5760-5799 [PMID:35333526]
bromodomain testis associated/Bromodomain testis-specific protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795185] [GtoPdb: 2729] [UniProtKB: Q58F21]
ChEMBL Inhibition of BRDT BD1 (unknown origin) after 1 hr by TR-FRET assay B 6.04 pKi 917 nM Ki J Med Chem (2020) 63: 5585-5623 [PMID:32324999]
ChEMBL Inhibition of BRDT BD2 (unknown origin) after 1 hr by TR-FRET assay B 9 pKi 1 nM Ki J Med Chem (2020) 63: 5585-5623 [PMID:32324999]
histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
ChEMBL Inhibition of HDAC1 (unknown origin) by fluorescence based assay B 5 pIC50 >10000 nM IC50 Eur J Med Chem (2021) 209: 112868-112868 [PMID:33077265]
histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
ChEMBL Inhibition of HDAC6 (unknown origin) by fluorescence based assay B 5 pIC50 >10000 nM IC50 Eur J Med Chem (2021) 209: 112868-112868 [PMID:33077265]

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]