Found 54 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 45 | 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 | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 45 | 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 Inhibition of C-terminal His-tagged human recombinant full-length HDAC8 expressed in baculovirus expression system assessed as reduction in 7-amino-4... |
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 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 70 | 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
(376/377 > 99%)† (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
UniProtKB/SwissProt
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| 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 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| 145 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Pharmacy, Faculty of Chemistry and Pharmacy , University of Regensburg , 93040 Regensburg , Germany.
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in baculovirus-infected insect cells using RHK(Ac)K(Ac)AMC ... |
J Med Chem 61: 3454-3477 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01593 BindingDB Entry DOI: 10.7270/Q24B33S0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| 504 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Hacettepe University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human Hela cells nuclear extracts by fluorimetric assay |
Bioorg Med Chem 17: 5219-28 (2009)
Article DOI: 10.1016/j.bmc.2009.05.042 BindingDB Entry DOI: 10.7270/Q22F7R82 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.38 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) after 17 hrs |
J Med Chem 51: 4370-3 (2008)
Article DOI: 10.1021/jm8002894 BindingDB Entry DOI: 10.7270/Q27W6C11 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Mashhad University of Medical Sciences
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human HeLa cell nuclear extract using BML-KI104 Fluor de Lys as substrate by fluorescence-based assay |
J Nat Prod 78: 2867-79 (2015)
Article DOI: 10.1021/acs.jnatprod.5b00700 BindingDB Entry DOI: 10.7270/Q2PG1VR7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nankai University
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human HeLa cells using Ac-Arg-Gly-Lys(Ac)-AMC as fluorescent substrate after 20 mins by fluorescence assay |
Eur J Med Chem 46: 3190-200 (2011)
Article DOI: 10.1016/j.ejmech.2011.04.027 BindingDB Entry DOI: 10.7270/Q2PV6P6P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| PDB PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Laboratories
Curated by ChEMBL
| Assay Description Inhibitory activity against Histone deacetylase (HDAC) in K 562 erythroleukemia cells |
Bioorg Med Chem Lett 13: 3909-13 (2003)
BindingDB Entry DOI: 10.7270/Q2ZP4892 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Mitsui Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibitory activity against partially purified histone deacetylase of human leukemia K562 cells. |
J Med Chem 42: 3001-3 (1999)
Article DOI: 10.1021/jm980565u BindingDB Entry DOI: 10.7270/Q22Z1885 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human HeLa cell nuclear extracts after 15 mins by fluorescence assay |
Bioorg Med Chem 18: 415-25 (2010)
Article DOI: 10.1016/j.bmc.2009.10.042 BindingDB Entry DOI: 10.7270/Q2RV0RJB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
University College London
Curated by ChEMBL
| Assay Description Inhibition of histone deacetylase (HDAC) activity in HeLa cell nuclear extract |
Bioorg Med Chem Lett 14: 2477-81 (2004)
BindingDB Entry DOI: 10.7270/Q2S184Q6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Georgia Institute of Technology
Curated by ChEMBL
| Assay Description Inhibition of human HDAC in HeLa cells by flour de lys assay |
Bioorg Med Chem 16: 4839-53 (2008)
Article DOI: 10.1016/j.bmc.2008.03.050 BindingDB Entry DOI: 10.7270/Q2862K6N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Geneva
Curated by ChEMBL
| Assay Description Inhibition of HDAC in human HeLa cell extract after 15 mins by fluorescence assay |
Bioorg Med Chem Lett 24: 5497-501 (2015)
Article DOI: 10.1016/j.bmcl.2014.10.019 BindingDB Entry DOI: 10.7270/Q2X3502T |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanjing University
Curated by ChEMBL
| Assay Description Inhibition of human HDAC after 30 mins |
Bioorg Med Chem 18: 8457-62 (2010)
Article DOI: 10.1016/j.bmc.2010.10.049 BindingDB Entry DOI: 10.7270/Q2ZS30DR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay |
J Med Chem 52: 7836-46 (2009)
Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Concentration required to inhibit human Histone deacetylase (HDAC) enzyme by 50% |
J Med Chem 45: 753-7 (2002)
Article DOI: 10.1021/jm015568c BindingDB Entry DOI: 10.7270/Q2T156D5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibitory activity against histone deacetylase (HDAC) enzyme obtained from H1299 human lung carcinoma cell lysates |
J Med Chem 46: 4609-24 (2003)
Article DOI: 10.1021/jm030235w BindingDB Entry DOI: 10.7270/Q2736TP0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Pennsylvania State Hershey College of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human HDAC in human HeLa cell nuclear extract after 15 mins by colorimetric assay |
Bioorg Med Chem Lett 20: 2044-7 (2010)
Article DOI: 10.1016/j.bmcl.2009.07.068 BindingDB Entry DOI: 10.7270/Q2DF6V2B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
CREST Research Project
Curated by ChEMBL
| Assay Description Inhibition of human histone deacetylase 8 prepared from 293T cells |
Bioorg Med Chem Lett 14: 5343-6 (2004)
Article DOI: 10.1016/j.bmcl.2004.08.016 BindingDB Entry DOI: 10.7270/Q2222VJ6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(362/377 = 96%)† (Mus musculus) | 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
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Technology
Curated by ChEMBL
| Assay Description Inhibitory activity against histone deacetylase 8 prepared from mouse melanoma B16/BL6 cells |
Bioorg Med Chem Lett 14: 2427-31 (2004)
Article DOI: 10.1016/j.bmcl.2004.03.018 BindingDB Entry DOI: 10.7270/Q20V8DC5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
In2Gen Co. Ltd.
Curated by ChEMBL
| Assay Description Inhibitory activity against Histone deacetylase (HDAC) from SNU-16 (human gastric adenocarcinoma) cells |
J Med Chem 46: 5745-51 (2003)
Article DOI: 10.1021/jm030377q BindingDB Entry DOI: 10.7270/Q2639SGQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster
Curated by ChEMBL
| Assay Description Inhibitory concentration against human histone deacetylase (HDAC) from HeLa cells with substrate 5a |
J Med Chem 47: 5235-43 (2004)
Article DOI: 10.1021/jm0497592 BindingDB Entry DOI: 10.7270/Q2086839 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 70.1 | n/a | n/a | n/a | n/a | 8.0 | n/a |
Soochow University
| Assay Description Briefly, recombinant HDACs and substrates were diluted in reaction buffer (50 mM Tris-HCl, pH 8.0, 137 mM NaCl, 2.7mM KCl, 1mM MgCl2, 1 mg/ml BSA, 1%... |
J Biol Chem 288: 34181-9 (2013)
Article DOI: 10.1074/jbc.M113.472563 BindingDB Entry DOI: 10.7270/Q2668C1K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 by fluorimetric assay |
J Med Chem 53: 8387-8399 (2010)
Article DOI: 10.1021/jm101092u BindingDB Entry DOI: 10.7270/Q28G8KZJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
R&D Sigma-Tau SpA
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 |
Bioorg Med Chem Lett 19: 2346-9 (2009)
Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Milano
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 using fluorogenic tetrapeptide RHKKAc as substrate |
Eur J Med Chem 79: 251-9 (2014)
Article DOI: 10.1016/j.ejmech.2014.04.021 BindingDB Entry DOI: 10.7270/Q2V989KV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Concentration required to inhibit the partially purified HDAC enzyme by 50% obtained from H1299 cell lysate |
J Med Chem 45: 753-7 (2002)
Article DOI: 10.1021/jm015568c BindingDB Entry DOI: 10.7270/Q2T156D5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 by in vitro deacetylation assay |
Nat Chem Biol 6: 25-33 (2009)
Article DOI: 10.1038/nchembio.275 BindingDB Entry DOI: 10.7270/Q2FF3SKD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Ahram Canadian University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) by ELISA |
Eur J Med Chem 148: 73-85 (2018)
Article DOI: 10.1016/j.ejmech.2018.02.011 BindingDB Entry DOI: 10.7270/Q218392F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Ronzoni Institute for Chemical and Biochem. Research
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) incubated for 1 hr by fluor de lys substrate based fluorescence method |
Bioorg Med Chem 23: 6785-93 (2015)
Article DOI: 10.1016/j.bmc.2015.10.004 BindingDB Entry DOI: 10.7270/Q21N82XF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB US Patent
| n/a | n/a | 165 | n/a | n/a | n/a | n/a | n/a | n/a |
BIOMARIN PHARMACEUTICAL INC.
US Patent
| Assay Description HDAC enzyme inhibition assays were performed using purified HDACs 1-10 essentially as described in Beckers et al., 2007, Int. J. Cancer., 121:1138-48... |
US Patent US9265734 (2016)
BindingDB Entry DOI: 10.7270/Q2BK1B5B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) using RHK(Ac)K(Ac) fluorogenic acetylated peptide substrate by fluorometric assay |
Bioorg Med Chem Lett 25: 4320-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.07.065 BindingDB Entry DOI: 10.7270/Q2930VZB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| n/a | n/a | 196 | n/a | n/a | n/a | n/a | n/a | n/a |
Heinrich Heine Universit£t
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 by fluorescence assay |
J Med Chem 56: 427-36 (2013)
Article DOI: 10.1021/jm301254q BindingDB Entry DOI: 10.7270/Q2D79CRK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 213 | n/a | n/a | n/a | n/a | 7.5 | n/a |
Genentech, Inc.
| Assay Description Biochemical assays of HDAC activity were carried out by Nanosyn in a reaction volume of 10 ul in 384-well microplates. A standard enzymatic reaction ... |
J Biol Chem 288: 26926-43 (2013)
Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Notre Dame
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 |
Bioorg Med Chem 18: 4103-10 (2010)
Article DOI: 10.1016/j.bmc.2010.03.080 BindingDB Entry DOI: 10.7270/Q2CC11N4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 307 | n/a | n/a | n/a | n/a | n/a | n/a |
Sungkyunkwan University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant C-terminal His-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-K(Ac)-AMC as substrate incu... |
Eur J Med Chem 116: 126-135 (2016)
Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 314 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 using fluorogenic substrate by fluorescence assay |
Eur J Med Chem 125: 1268-1278 (2017)
Article DOI: 10.1016/j.ejmech.2016.11.033 BindingDB Entry DOI: 10.7270/Q2XD145D |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Alfenas
Curated by ChEMBL
| Assay Description Inhibition of recombinant human HDAC8 by fluorimetry |
J Med Chem 59: 655-70 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01525 BindingDB Entry DOI: 10.7270/Q2VD71B2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 390 | 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 fluor de Lys as substrate preincubated for 5 mins followed by substrate addition measured after 25 mins b... |
Bioorg Med Chem Lett 22: 6621-7 (2012)
Article DOI: 10.1016/j.bmcl.2012.08.104 BindingDB Entry DOI: 10.7270/Q2GX4CQR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 472 | n/a | n/a | n/a | n/a | n/a | n/a |
Istanbul University
| Assay Description I. Compound handling: Testing compounds were dissolved in 100% DMSO to a specific concentration. The serial dilution was conducted by epMotion 5070 ... |
Bioorg Med Chem 17: 4894-9 (2009)
BindingDB Entry DOI: 10.7270/Q2GT5QJ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 566 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 using RHKAcKAc peptide as substrate |
J Med Chem 61: 7087-7102 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00151 BindingDB Entry DOI: 10.7270/Q26M39FC |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | 609 | 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 His-tagged recombinant human HDAC8 expressed in baculovirus infected insect cells using RHKK(Ac)AMC as substrate by fluoresc... |
J Med Chem 61: 10299-10309 (2018)
Article DOI: 10.1021/acs.jmedchem.8b01487 BindingDB Entry DOI: 10.7270/Q26W9DMW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| n/a | n/a | 770 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc
Curated by ChEMBL
| Assay Description Inhibition of human recombinant histone deacetylase 8 |
Bioorg Med Chem Lett 19: 688-92 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.045 BindingDB Entry DOI: 10.7270/Q2G44Q5S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| n/a | n/a | 960 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description Inhibition of N terminal hexahistidine-tagged human HDAC8 expressed in Sf9 cells after 1 hr by fluorescence assay |
Bioorg Med Chem 19: 4626-34 (2011)
Article DOI: 10.1016/j.bmc.2011.06.030 BindingDB Entry DOI: 10.7270/Q2319W8N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Taipei Medical University
Curated by ChEMBL
| Assay Description Inhibition of human HDAC8 using RHKAcKAc as substrate |
Eur J Med Chem 150: 667-677 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.006 BindingDB Entry DOI: 10.7270/Q2XW4NGM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 (unknown origin) after 30 mins by fluorometric analysis |
Bioorg Med Chem 21: 4201-9 (2013)
Article DOI: 10.1016/j.bmc.2013.05.002 BindingDB Entry DOI: 10.7270/Q2S46VXV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 assessed as blockade of decorboxylation of carboxyfluorescein labeled acetylated peptide substrate after 17 hrs |
J Med Chem 53: 1347-56 (2010)
Article DOI: 10.1021/jm901667k BindingDB Entry DOI: 10.7270/Q29S1R52 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
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| PDB Article PubMed
| n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
| Assay Description The inhibitory effects of compounds on histone deacetylase (HDAC) activity were determined using a fluorescence-based assay with electrophoretic sepa... |
J Med Chem 51: 3437-48 (2008)
Article DOI: 10.1021/jm701606b BindingDB Entry DOI: 10.7270/Q2ZC815S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (Homo sapiens (Human)) | BDBM50005711
(CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...)Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| 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/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| n/a | n/a | 4.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description Inhibition of human KDAC8 using [3H]acetyl histone H4 peptide substrate incubated for 60 mins by scintillation counting method |
J Med Chem 59: 1613-33 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01632 BindingDB Entry DOI: 10.7270/Q2SB47MP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | 7.31E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Yonsei University
Curated by ChEMBL
| Assay Description Inhibition of HDAC8 by fluorescence assay |
Bioorg Med Chem Lett 21: 1218-21 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.079 BindingDB Entry DOI: 10.7270/Q28K79C8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| n/a | n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a |
North Dakota State University
| Assay Description To determine the dissociation rate of the inhibitor, 1 µM HDAC8 and 20 µM inhibitor (syringe I) were mixed with 100 µM c-SAHA (syringe... |
Biochemistry 52: 8139-49 (2013)
Article DOI: 10.1021/bi400740x BindingDB Entry DOI: 10.7270/Q2TM78T0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Histone deacetylase 8
(376/377 > 99%)† (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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | n/a | 390 | n/a | n/a | n/a | 7.5 | n/a |
North Dakota State University
| Assay Description A fixed concentration of 1.5 µM was titrated with an increasing concentration of the respective inhibitor in protein storage buffer containing 5... |
Biochemistry 52: 8139-49 (2013)
Article DOI: 10.1021/bi400740x BindingDB Entry DOI: 10.7270/Q2TM78T0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |