Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'barath' and Initial = 'p'   

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 1 (Homo sapiens (Human))	BDBM50314133 (CHEMBL1093713 | N-(3,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cc(C)cc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-11(2)9-12(8-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314134 (CHEMBL1093041 | N-(3-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-6-5-7-12(10-11)15-13(17)8-3-4-9-14(18)16-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314133 (CHEMBL1093713 | N-(3,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cc(C)cc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-11(2)9-12(8-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314135 (CHEMBL1093359 | N-(3,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1C Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(9-11(10)2)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314134 (CHEMBL1093041 | N-(3-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-6-5-7-12(10-11)15-13(17)8-3-4-9-14(18)16-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314135 (CHEMBL1093359 | N-(3,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1C Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(9-11(10)2)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314136 (CHEMBL1089339 | N-Hydroxy-N'-(3-methylphenyl)octan...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C13H18N2O3/c1-10-5-4-6-11(9-10)14-12(16)7-2-3-8-13(17)15-18/h4-6,9,18H,2-3,7-8H2,1H3,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314136 (CHEMBL1089339 | N-Hydroxy-N'-(3-methylphenyl)octan...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C13H18N2O3/c1-10-5-4-6-11(9-10)14-12(16)7-2-3-8-13(17)15-18/h4-6,9,18H,2-3,7-8H2,1H3,(H,14,16)(H,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314137 (CHEMBL1091487 | N-Hydroxy-N'-(4-methoxyphenyl)octa...) Show SMILES COc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O4/c1-19-11-8-6-10(7-9-11)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314138 (CHEMBL1092762 | N-Hydroxy-N'-(4-methylphenyl)octan...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O3/c1-10-6-8-11(9-7-10)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314138 (CHEMBL1092762 | N-Hydroxy-N'-(4-methylphenyl)octan...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O3/c1-10-6-8-11(9-7-10)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314137 (CHEMBL1091487 | N-Hydroxy-N'-(4-methoxyphenyl)octa...) Show SMILES COc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O4/c1-19-11-8-6-10(7-9-11)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	137	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314139 (CHEMBL1093042 | N-(4-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-9-12(10-8-11)15-13(17)5-3-4-6-14(18)16-19/h7-10,19H,2-6H2,1H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314139 (CHEMBL1093042 | N-(4-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-9-12(10-8-11)15-13(17)5-3-4-6-14(18)16-19/h7-10,19H,2-6H2,1H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314140 (CHEMBL1076794 | N-Hydroxy-N'-(2-methylphenyl)octan...) Show SMILES Cc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C13H18N2O3/c1-10-6-2-3-7-11(10)14-12(16)8-4-5-9-13(17)15-18/h2-3,6-7,18H,4-5,8-9H2,1H3,(H,14,16)(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	576	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314141 (CHEMBL1092032 | N-(2,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(11(2)9-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	638	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314141 (CHEMBL1092032 | N-(2,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(11(2)9-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314142 (CHEMBL1093040 | N-(2-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-3-4-8-12(11)15-13(17)9-5-6-10-14(18)16-19/h3-4,7-8,19H,2,5-6,9-10H2,1H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314143 (CHEMBL1093043 | N-(2,3-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1C Show InChI InChI=1S/C14H20N2O3/c1-10-6-5-7-12(11(10)2)15-13(17)8-3-4-9-14(18)16-19/h5-7,19H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314144 (CHEMBL1093357 | N-(2,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(C)c(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-11(2)12(9-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314144 (CHEMBL1093357 | N-(2,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(C)c(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-11(2)12(9-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314140 (CHEMBL1076794 | N-Hydroxy-N'-(2-methylphenyl)octan...) Show SMILES Cc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C13H18N2O3/c1-10-6-2-3-7-11(10)14-12(16)8-4-5-9-13(17)15-18/h2-3,6-7,18H,4-5,8-9H2,1H3,(H,14,16)(H,15,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314143 (CHEMBL1093043 | N-(2,3-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1C Show InChI InChI=1S/C14H20N2O3/c1-10-6-5-7-12(11(10)2)15-13(17)8-3-4-9-14(18)16-19/h5-7,19H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314142 (CHEMBL1093040 | N-(2-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-3-4-8-12(11)15-13(17)9-5-6-10-14(18)16-19/h3-4,7-8,19H,2,5-6,9-10H2,1H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314145 (CHEMBL1093358 | N-(2,6-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cccc(C)c1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C14H20N2O3/c1-10-6-5-7-11(2)14(10)15-12(17)8-3-4-9-13(18)16-19/h5-7,19H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314145 (CHEMBL1093358 | N-(2,6-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cccc(C)c1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C14H20N2O3/c1-10-6-5-7-11(2)14(10)15-12(17)8-3-4-9-13(18)16-19/h5-7,19H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM50304340 (2-Nitro-naphtho[2,1-b]furan | 2-nitronaphtho[2,1-b...) Show SMILES [O-][N+](=O)c1cc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C12H7NO3/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Agonist activity at human full length HNF4alpha nuclear receptor expressed in human HepG2/C3A cells cotransfected with LexADBD assessed as increase i...				Bioorg Med Chem 17: 7021-30 (2009) Article DOI: 10.1016/j.bmc.2009.07.079 BindingDB Entry DOI: 10.7270/Q28S4Q07
					More data for this Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM50304339 (8-Methoxy-2-nitro-naphtho[2,1-b]furan | 8-methoxy-...) Show SMILES COc1ccc2ccc3oc(cc3c2c1)[N+]([O-])=O Show InChI InChI=1S/C13H9NO4/c1-17-9-4-2-8-3-5-12-11(10(8)6-9)7-13(18-12)14(15)16/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.33E+3	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Agonist activity at human full length HNF4alpha nuclear receptor expressed in human HepG2/C3A cells cotransfected with LexADBD assessed as increase i...				Bioorg Med Chem 17: 7021-30 (2009) Article DOI: 10.1016/j.bmc.2009.07.079 BindingDB Entry DOI: 10.7270/Q28S4Q07
					More data for this Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM50304338 (1-Methyl-2-nitro-naphtho[2,1-b]furan | 1-methyl-2-...) Show SMILES Cc1c(oc2ccc3ccccc3c12)[N+]([O-])=O Show InChI InChI=1S/C13H9NO3/c1-8-12-10-5-3-2-4-9(10)6-7-11(12)17-13(8)14(15)16/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Agonist activity at human full length HNF4alpha nuclear receptor expressed in human HepG2/C3A cells cotransfected with LexADBD assessed as increase i...				Bioorg Med Chem 17: 7021-30 (2009) Article DOI: 10.1016/j.bmc.2009.07.079 BindingDB Entry DOI: 10.7270/Q28S4Q07
					More data for this Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM50304342 (CHEMBL611816 | naphtho[2,1-b]furan-2-carboxamide) Show SMILES NC(=O)c1cc2c(ccc3ccccc23)o1 Show InChI InChI=1S/C13H9NO2/c14-13(15)12-7-10-9-4-2-1-3-8(9)5-6-11(10)16-12/h1-7H,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Agonist activity at human full length HNF4alpha nuclear receptor expressed in human HepG2/C3A cells cotransfected with LexADBD assessed as increase i...				Bioorg Med Chem 17: 7021-30 (2009) Article DOI: 10.1016/j.bmc.2009.07.079 BindingDB Entry DOI: 10.7270/Q28S4Q07
					More data for this Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM50304336 (2-Nitro-naphtho[2,1-b]furan-7-ol | 2-nitronaphtho[...) Show SMILES Oc1ccc2c3cc(oc3ccc2c1)[N+]([O-])=O Show InChI InChI=1S/C12H7NO4/c14-8-2-3-9-7(5-8)1-4-11-10(9)6-12(17-11)13(15)16/h1-6,14H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Agonist activity at human full length HNF4alpha nuclear receptor expressed in human HepG2/C3A cells cotransfected with LexADBD assessed as increase i...				Bioorg Med Chem 17: 7021-30 (2009) Article DOI: 10.1016/j.bmc.2009.07.079 BindingDB Entry DOI: 10.7270/Q28S4Q07
					More data for this Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM22594 (7-methoxy-4-nitro-5-oxatricyclo[7.4.0.0^{2,6}]trid...) Show SMILES COc1cc2ccccc2c2cc(oc12)[N+]([O-])=O Show InChI InChI=1S/C13H9NO4/c1-17-11-6-8-4-2-3-5-9(8)10-7-12(14(15)16)18-13(10)11/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Agonist activity at human full length HNF4alpha nuclear receptor expressed in human HepG2/C3A cells cotransfected with LexADBD assessed as increase i...				Bioorg Med Chem 17: 7021-30 (2009) Article DOI: 10.1016/j.bmc.2009.07.079 BindingDB Entry DOI: 10.7270/Q28S4Q07
					More data for this Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM50304341 (7-Methoxy-2-nitro-naphtho[2,1-b]furan | 7-methoxy-...) Show SMILES COc1ccc2c3cc(oc3ccc2c1)[N+]([O-])=O Show InChI InChI=1S/C13H9NO4/c1-17-9-3-4-10-8(6-9)2-5-12-11(10)7-13(18-12)14(15)16/h2-7H,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Agonist activity at human full length HNF4alpha nuclear receptor expressed in human HepG2/C3A cells cotransfected with LexADBD assessed as increase i...				Bioorg Med Chem 17: 7021-30 (2009) Article DOI: 10.1016/j.bmc.2009.07.079 BindingDB Entry DOI: 10.7270/Q28S4Q07
					More data for this Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha (Homo sapiens (Human))	BDBM50304337 (2-(2-Nitro-naphtho[2,1-b]furan-1-yl)-ethanol | 2-(...) Show SMILES OCCc1c(oc2ccc3ccccc3c12)[N+]([O-])=O Show InChI InChI=1S/C14H11NO4/c16-8-7-11-13-10-4-2-1-3-9(10)5-6-12(13)19-14(11)15(17)18/h1-6,16H,7-8H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a
Universit£ de Rennes 1 Curated by ChEMBL					Assay Description Agonist activity at human full length HNF4alpha nuclear receptor expressed in human HepG2/C3A cells cotransfected with LexADBD assessed as increase i...				Bioorg Med Chem 17: 7021-30 (2009) Article DOI: 10.1016/j.bmc.2009.07.079 BindingDB Entry DOI: 10.7270/Q28S4Q07
					More data for this Ligand-Target Pair