BML-281 [Ligand Id: 9664] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL511749
  • histone deacetylase 1/Histone deacetylase 1 in Human [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
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  • histone deacetylase 10/Histone deacetylase 10 in Human [ChEMBL: CHEMBL5103] [GtoPdb: 2614] [UniProtKB: Q969S8]
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  • histone deacetylase 2/Histone deacetylase 2 in Human [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769]
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  • histone deacetylase 3/Histone deacetylase 3 in Human [ChEMBL: CHEMBL1829] [GtoPdb: 2617] [UniProtKB: O15379]
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  • histone deacetylase 6/Histone deacetylase 6 in Human [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
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  • histone deacetylase 8/Histone deacetylase 8 in Human [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
ChEMBL Inhibition of recombinant human HDAC1 using Ac-RHKK(Ac)-ACC as substrate by fluorometric analysis B 5.45 pIC50 3567 nM IC50 Bioorg Med Chem Lett (2010) 20: 7067-7070 [PMID:20947351]
ChEMBL Inhibition of recombinant human HDAC1 using Cbz-Lys(TFAc)-AMC as substrate by fluorometric analysis B 6.47 pIC50 340 nM IC50 Bioorg Med Chem Lett (2010) 20: 7067-7070 [PMID:20947351]
ChEMBL Inhibition of HDAC1 after 17 hrs B 6.57 pIC50 271 nM IC50 J Med Chem (2008) 51: 4370-4373 [PMID:18642892]
ChEMBL Inhibition of recombinant human HDAC1 expressed in baculovirus expression system using Ac-Leu-Gly-Lys (Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence microtiter plate reader assay B 6.59 pIC50 260 nM IC50 J Med Chem (2022) 65: 2434-2457 [PMID:35043615]
GtoPdb - - 7 pIC50 100 nM IC50 J Med Chem (2008) 51: 4370-3 [PMID:18642892]
ChEMBL Inhibition of HDAC1 (unknown origin) using carboxyfluorescein (FAM)-labeled acetylated peptide as substrate after 17 hrs by fluorescence-based electrophoretic assay B 7.9 pIC50 12.7 nM IC50 J Med Chem (2013) 56: 6297-6313 [PMID:23627282]
ChEMBL Inhibition of recombinant full length C-terminal His/FLAG tagged human HDAC1 (1 to 482 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition and further incubated for 2 hrs by fluorescence assay B 8.49 pIC50 3.2 nM IC50 J Med Chem (2019) 62: 8557-8577 [PMID:31414801]
histone deacetylase 10/Histone deacetylase 10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5103] [GtoPdb: 2614] [UniProtKB: Q969S8]
ChEMBL Inhibition of dye-labeled tracer binding to HDAC10 (unknown origin) transfected in human HeLa cells measured after 2 hrs by nano-luciferase reporter gene-based BRET assay B 6.1 pIC50 794.33 nM IC50 J Med Chem (2019) 62: 4426-4443 [PMID:30964290]
ChEMBL Inhibition of tubastatin-Alexa647-tracer binding to recombinant GST-tagged HDAC10 (unknown origin) measured after 1 hr by TR-FRET assay B 6.5 pIC50 316.23 nM IC50 J Med Chem (2019) 62: 4426-4443 [PMID:30964290]
ChEMBL Inhibition of HDAC10 after 17 hrs B 7.04 pIC50 90.7 nM IC50 J Med Chem (2008) 51: 4370-4373 [PMID:18642892]
GtoPdb - - 7.55 pIC50 28.2 nM IC50 J Med Chem (2008) 51: 4370-3 [PMID:18642892]
histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769]
ChEMBL Inhibition of HDAC2 after 17 hrs B 6.6 pIC50 252 nM IC50 J Med Chem (2008) 51: 4370-4373 [PMID:18642892]
GtoPdb - - 6.62 pIC50 238 nM IC50 J Med Chem (2008) 51: 4370-3 [PMID:18642892]
ChEMBL Inhibition of HDAC2 (unknown origin) using carboxyfluorescein (FAM)-labeled acetylated peptide as substrate after 17 hrs by fluorescence-based electrophoretic assay B 7.03 pIC50 93 nM IC50 J Med Chem (2013) 56: 6297-6313 [PMID:23627282]
histone deacetylase 3/Histone deacetylase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1829] [GtoPdb: 2617] [UniProtKB: O15379]
ChEMBL Inhibition of recombinant human His-tagged HDAC3 expressed in baculovirus insect cells using Ac-Leu-Gly-Lys (Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence microtiter plate reader assay B 6.12 pIC50 760 nM IC50 J Med Chem (2022) 65: 2434-2457 [PMID:35043615]
ChEMBL Inhibition of HDAC3 (unknown origin) using carboxyfluorescein (FAM)-labeled acetylated peptide as substrate after 17 hrs by fluorescence-based electrophoretic assay B 6.72 pIC50 190 nM IC50 J Med Chem (2013) 56: 6297-6313 [PMID:23627282]
GtoPdb - - 8.7 pIC50 <2 nM IC50 J Med Chem (2008) 51: 4370-3 [PMID:18642892]
ChEMBL Inhibition of HDAC3 after 17 hrs B 9.38 pIC50 0.42 nM IC50 J Med Chem (2008) 51: 4370-4373 [PMID:18642892]
histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
ChEMBL Inhibition of recombinant human HDAC6 using Boc-Lys(Ac)-AMC as substrate by fluorometric analysis B 7.4 pIC50 40 nM IC50 Bioorg Med Chem Lett (2010) 20: 7067-7070 [PMID:20947351]
ChEMBL Inhibition of recombinant human HDAC6 using Ac-RHKK(Ac)-ACC as substrate by fluorometric analysis B 7.57 pIC50 27 nM IC50 Bioorg Med Chem Lett (2010) 20: 7067-7070 [PMID:20947351]
ChEMBL Inhibition of recombinant human N-terminal GST tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-Gly-Lys (Ac)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence microtiter plate reader assay B 7.74 pIC50 18 nM IC50 J Med Chem (2022) 65: 2434-2457 [PMID:35043615]
ChEMBL Inhibition of recombinant N-terminal GST-tagged human HDAC6 (1 to 1215 residues) expressed in baculovirus infected sf9 insect cells using p53 (379 to 382 residues) derived fluorogenic peptide RHKKAc as substrate preincubated for 5 to 10 mins followed by substrate addition and further incubated for 2 hrs by fluorescence assay B 7.86 pIC50 13.8 nM IC50 J Med Chem (2019) 62: 8557-8577 [PMID:31414801]
GtoPdb - - 8.7 pIC50 <2 nM IC50 J Med Chem (2008) 51: 4370-3 [PMID:18642892]
ChEMBL Inhibition of HDAC6 (unknown origin) using carboxyfluorescein (FAM)-labeled acetylated peptide as substrate after 17 hrs by fluorescence-based electrophoretic assay B 9.49 pIC50 0.33 nM IC50 J Med Chem (2013) 56: 6297-6313 [PMID:23627282]
histone deacetylase 8/Histone deacetylase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41]
GtoPdb - - 5.09 pIC50 8104 nM IC50 J Med Chem (2008) 51: 4370-3 [PMID:18642892]
ChEMBL Inhibition of HDAC8 after 17 hrs B 5.16 pIC50 6851 nM IC50 J Med Chem (2008) 51: 4370-4373 [PMID:18642892]
ChEMBL Inhibition of full length recombinant human C-terminal His tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Ac-Leu-GlyLys (Tfa)-AMC as substrate preincubated for 5 mins followed by substrate addition and measured after 30 mins by fluorescence microtiter plate reader assay B 5.21 pIC50 6210 nM IC50 J Med Chem (2022) 65: 2434-2457 [PMID:35043615]

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]