Found 3861 hits for monomerid = 5445,19149,19410,19423,19422,19426,19428,19130,22449,24622,24624,25150,26109,29589,36184 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19422
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 37 | -10.1 | 41 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00702 BindingDB Entry DOI: 10.7270/Q2XG9W57 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S *BIO Pte Ltd
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 |
Bioorg Med Chem Lett 20: 3314-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-University D£sseldorf
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC... |
Bioorg Med Chem 27: (2019)
Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | NCI pathway Reactome pathway KEGG
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| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Technical University of Denmark
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC10 using Ac-Arg-His-Lys(Ac)-Lys(Ac)-AMC substrate incubated for 15 to 30 mins |
J Med Chem 57: 9644-57 (2014)
Article DOI: 10.1021/jm501399d BindingDB Entry DOI: 10.7270/Q2FJ2JCG |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description Competitive inhibition of HDAC2 using KI-104 as substrate by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 48 | -9.88 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of Notre Dame
| Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate... |
J Med Chem 51: 2898-906 (2008)
Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | Reactome pathway KEGG
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| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description Competitive inhibition of HDAC9 using KI-104 as substrate by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | NCI pathway Reactome pathway KEGG
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| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S *BIO Pte Ltd
Curated by ChEMBL
| Assay Description Inhibition of HDAC10 |
Bioorg Med Chem Lett 20: 3314-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX |
More data for this Ligand-Target Pair | |
Histone deacetylase 7
(Homo sapiens (Human)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM29589
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nestle Skin Health R&D
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate after 30 mins by fluorimetrc method |
Bioorg Med Chem Lett 28: 2985-2992 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM29589
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+ | KEGG
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| 57 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nestle Skin Health R&D
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC5 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method |
Bioorg Med Chem Lett 28: 2985-2992 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | NCI pathway Reactome pathway KEGG
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| 59 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description Competitive inhibition of HDAC10 using KI-104 as substrate by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description Competitive inhibition of HDAC1 using KI-104 as substrate by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | NCI pathway Reactome pathway KEGG
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| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description Competitive inhibition of HDAC10 using KI-104 as substrate by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S *BIO Pte Ltd
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
Bioorg Med Chem Lett 20: 3314-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | Reactome pathway KEGG
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| Article PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S *BIO Pte Ltd
Curated by ChEMBL
| Assay Description Inhibition of HDAC9 |
Bioorg Med Chem Lett 20: 3314-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19410
(CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...)Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 73 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00702 BindingDB Entry DOI: 10.7270/Q2XG9W57 |
More data for this Ligand-Target Pair | |
Histone deacetylase 7
(Homo sapiens (Human)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC7 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM29589
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+ | KEGG
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| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC5 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-Universit£t D£sseldorf
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC2 |
Bioorg Med Chem 28: (2020)
Article DOI: 10.1016/j.bmc.2019.115108 BindingDB Entry DOI: 10.7270/Q2NV9NSQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich-Heine-University D£sseldorf
Curated by ChEMBL
| Assay Description Inhibition of C-terminal GST-tagged recombinant human HDAC2 (1 to 488 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC ... |
Bioorg Med Chem 27: (2019)
Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM29589
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S *BIO Pte Ltd
Curated by ChEMBL
| Assay Description Inhibition of HDAC7 |
Bioorg Med Chem Lett 20: 3314-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX |
More data for this Ligand-Target Pair | |
Histone deacetylase 7
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| PDB Article PubMed
| 129 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description Competitive inhibition of HDAC7 using KI-104 as substrate by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19130
((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...)Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| PDB Article PubMed
| 130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Poitiers
Curated by ChEMBL
| Assay Description Inhibition of recombinant HDAC8 |
Eur J Med Chem 45: 2095-116 (2010)
Article DOI: 10.1016/j.ejmech.2010.02.030 BindingDB Entry DOI: 10.7270/Q2BR8SCS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 6
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
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| 142 | -9.24 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
University of Notre Dame
| Assay Description To assess the effect of test compounds on histone deacetylase enzyme function in Vitro, a fluorometric assay was performed using HDAC, which incubate... |
J Med Chem 51: 2898-906 (2008)
Article DOI: 10.1021/jm7015254 BindingDB Entry DOI: 10.7270/Q2NC5ZG2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 143 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM29589
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+ | PDB MMDB
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| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nestle Skin Health R&D
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using fluorogenic HDAC substrate after 15 mins by fluorimetrc method |
Bioorg Med Chem Lett 28: 2985-2992 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM29589
(Faridak | LBH-589 | LBH-589B | Panobinostat | US10...)Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+ | PDB MMDB
KEGG
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| Article PubMed
| 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Nestle Skin Health R&D
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC4 using fluorogenic HDAC substrate class 2a after 30 mins by fluorimetrc method |
Bioorg Med Chem Lett 28: 2985-2992 (2018)
Article DOI: 10.1016/j.bmcl.2018.06.029 BindingDB Entry DOI: 10.7270/Q2M0484T |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 173 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S*BIO Pte Ltd.
Curated by ChEMBL
| Assay Description Competitive inhibition of HDAC8 using KI-104 as substrate by fluorescence assay |
J Med Chem 54: 4694-720 (2011)
Article DOI: 10.1021/jm2003552 BindingDB Entry DOI: 10.7270/Q29S1RD6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | KEGG
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| 175 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC5 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| 205 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
S *BIO Pte Ltd
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 |
Bioorg Med Chem Lett 20: 3314-21 (2010)
Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM19422
(4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...)Show InChI InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20) | PDB MMDB
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| 223 | -9.07 | 147 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | Reactome pathway KEGG
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| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC9 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
SynBioC Research Group, Department of Sustainable Organic Chemistry and Technology, Faculty of Bioscience Engineering, Ghent University, Coupure Links 653, B-9000 Ghent, Belgium.
Curated by ChEMBL
| Assay Description Inhibition of full length human HDAC8 expressed in an E. coli expression system using AMC-labeled RHKAcKAc as substrate after 2 hrs by fluorescence a... |
Eur J Med Chem 135: 174-195 (2017)
Article DOI: 10.1016/j.ejmech.2017.04.013 BindingDB Entry DOI: 10.7270/Q2G44SQS |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM24622
(3-[(dimethylamino)methyl]-N-{2-[4-(hydroxycarbamoy...)Show SMILES CN(C)Cc1c(oc2ccccc12)C(=O)NCCOc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C21H23N3O5/c1-24(2)13-17-16-5-3-4-6-18(16)29-19(17)21(26)22-11-12-28-15-9-7-14(8-10-15)20(25)23-27/h3-10,27H,11-13H2,1-2H3,(H,22,26)(H,23,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 280 | -8.84 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
Celera Genomics
| Assay Description HDAC activity was measured using a continuous trypsin-coupled assay. For inhibitor characterization, measurements were done using 96-well assay plat... |
Mol Cancer Ther 5: 1309-17 (2006)
Article DOI: 10.1158/1535-7163.MCT-05-0442 BindingDB Entry DOI: 10.7270/Q2DF6PJJ |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 326 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC1 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19428
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+ | PDB MMDB
NCI pathway Reactome pathway KEGG
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| Article PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Polyamine deacetylase HDAC10
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | NCI pathway Reactome pathway KEGG
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| Article PubMed
| 374 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC10 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 4
(Homo sapiens (Human)) | BDBM25150
((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...)Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+ | PDB MMDB
KEGG
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| Article PubMed
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC4 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 396 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 using fluorescent acetylated substrate |
J Med Chem 52: 7003-13 (2009)
Article DOI: 10.1021/jm9005077 BindingDB Entry DOI: 10.7270/Q2ST7PWM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 5
(Homo sapiens (Human)) | BDBM19428
((2E)-N-hydroxy-3-(4-{[(2-hydroxyethyl)[2-(1H-indol...)Show SMILES OCCN(CCc1c[nH]c2ccccc12)Cc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C22H25N3O3/c26-14-13-25(12-11-19-15-23-21-4-2-1-3-20(19)21)16-18-7-5-17(6-8-18)9-10-22(27)24-28/h1-10,15,23,26,28H,11-14,16H2,(H,24,27)/b10-9+ | KEGG
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| 420 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC5 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Connecticut
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 by Michaelis-Menten equation analysis |
ACS Med Chem Lett 4: 757-61 (2013)
Article DOI: 10.1021/ml400158k BindingDB Entry DOI: 10.7270/Q28055HS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM19149
(CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...)Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18) | PDB MMDB
NCI pathway Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Catania
Curated by ChEMBL
| Assay Description The compound was tested in vitro for binding activity against M1 muscarinic receptor in homogenates of the cerebral cortex of rat using [3H]pirenzepi... |
Eur J Med Chem 141: 188-196 (2017)
Article DOI: 10.1016/j.ejmech.2017.09.075 BindingDB Entry DOI: 10.7270/Q2QZ2DGS |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19423
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24) | PDB
NCI pathway Reactome pathway KEGG
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| 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Broad Institute of MIT and Harvard
Curated by ChEMBL
| Assay Description Inhibition full length human recombinant HDAC3 expressed in baculovirus using carboxyfluorescein (FAM)-labeled acetylated/ trifluoroacetylated peptid... |
Bioorg Med Chem 24: 4008-4015 (2016)
Article DOI: 10.1016/j.bmc.2016.06.040 BindingDB Entry DOI: 10.7270/Q23B6220 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM19423
(HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...)Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24) | PDB
NCI pathway Reactome pathway KEGG
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| 500 | -8.59 | 398 | n/a | n/a | n/a | n/a | 7.4 | 25 |
Broad Institute of Harvard and MIT
| Assay Description Purified HDAC1-9 (0.5~5 nM) were incubated with 2 μM carboxyfluorescein (FAM)-labeled acetylated peptide substrate A or B and test compound for ... |
ACS Chem Biol 11: 363-74 (2016)
Article DOI: 10.1021/acschembio.5b00640 BindingDB Entry DOI: 10.7270/Q2BZ64T2 |
More data for this Ligand-Target Pair | |
Histone deacetylase 9
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | Reactome pathway KEGG
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| 509 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC9 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM22449
(CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...)Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1 | PDB
NCI pathway Reactome pathway KEGG
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CHEMBL MCE PC cid PC sid UniChem
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| Article PubMed
| 544 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
St Jude Children's Research Hospital
Curated by ChEMBL
| Assay Description Inhibition of human HDAC3 |
Bioorg Med Chem 23: 5151-5 (2015)
Article DOI: 10.1016/j.bmc.2014.12.066 BindingDB Entry DOI: 10.7270/Q2B859V9 |
More data for this Ligand-Target Pair | |