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 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]