Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 2322   

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 2 (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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19412 (CHEMBL235674 | benzamide-type inhibitor, 4 | pyrid...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1cccs1 Show InChI InChI=1S/C25H22N4O3S/c26-21-10-9-20(23-4-2-12-33-23)13-22(21)29-24(30)19-7-5-17(6-8-19)15-28-25(31)32-16-18-3-1-11-27-14-18/h1-14H,15-16,26H2,(H,28,31)(H,29,30)	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	20	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19421 (4-{[(3,4-dimethoxyphenyl)amino]methyl}-N-[2-hydrox...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2O)-c2cccs2)cc1OC Show InChI InChI=1S/C26H24N2O4S/c1-31-23-12-10-20(15-24(23)32-2)27-16-17-5-7-18(8-6-17)26(30)28-21-14-19(9-11-22(21)29)25-4-3-13-33-25/h3-15,27,29H,16H2,1-2H3,(H,28,30)	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	40	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19417 (N-[2-amino-5-(furan-3-yl)phenyl]-4-{[(3,4-dimethox...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccoc2)cc1OC Show InChI InChI=1S/C26H25N3O4/c1-31-24-10-8-21(14-25(24)32-2)28-15-17-3-5-18(6-4-17)26(30)29-23-13-19(7-9-22(23)27)20-11-12-33-16-20/h3-14,16,28H,15,27H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19414 (N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{[(3,4-dimet...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2cccs2)cc1OC Show InChI InChI=1S/C26H25N3O3S/c1-31-23-12-10-20(15-24(23)32-2)28-16-17-5-7-18(8-6-17)26(30)29-22-14-19(9-11-21(22)27)25-4-3-13-33-25/h3-15,28H,16,27H2,1-2H3,(H,29,30)	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	50	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19416 (N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{[(3,4-dimet...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccsc2)cc1OC Show InChI InChI=1S/C26H25N3O3S/c1-31-24-10-8-21(14-25(24)32-2)28-15-17-3-5-18(6-4-17)26(30)29-23-13-19(7-9-22(23)27)20-11-12-33-16-20/h3-14,16,28H,15,27H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19427 (N-[2-amino-5-(thiophen-2-yl)phenyl]-4-methoxybenza...) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C18H16N2O2S/c1-22-14-7-4-12(5-8-14)18(21)20-16-11-13(6-9-15(16)19)17-3-2-10-23-17/h2-11H,19H2,1H3,(H,20,21)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19415 (N-(2-amino-5-phenylphenyl)-4-{[(3,4-dimethoxypheny...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cc1OC Show InChI InChI=1S/C28H27N3O3/c1-33-26-15-13-23(17-27(26)34-2)30-18-19-8-10-21(11-9-19)28(32)31-25-16-22(12-14-24(25)29)20-6-4-3-5-7-20/h3-17,30H,18,29H2,1-2H3,(H,31,32)	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	60	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19425 (N-[2-amino-5-(thiophen-2-yl)phenyl]quinoxaline-6-c...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc2nccnc2c1)-c1cccs1 Show InChI InChI=1S/C19H14N4OS/c20-14-5-3-12(18-2-1-9-25-18)10-16(14)23-19(24)13-4-6-15-17(11-13)22-8-7-21-15/h1-11H,20H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19421 (4-{[(3,4-dimethoxyphenyl)amino]methyl}-N-[2-hydrox...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2O)-c2cccs2)cc1OC Show InChI InChI=1S/C26H24N2O4S/c1-31-23-12-10-20(15-24(23)32-2)27-16-17-5-7-18(8-6-17)26(30)28-21-14-19(9-11-22(21)29)25-4-3-13-33-25/h3-15,27,29H,16H2,1-2H3,(H,28,30)	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	60	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19416 (N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{[(3,4-dimet...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccsc2)cc1OC Show InChI InChI=1S/C26H25N3O3S/c1-31-24-10-8-21(14-25(24)32-2)28-15-17-3-5-18(6-4-17)26(30)29-23-13-19(7-9-22(23)27)20-11-12-33-16-20/h3-14,16,28H,15,27H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19417 (N-[2-amino-5-(furan-3-yl)phenyl]-4-{[(3,4-dimethox...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccoc2)cc1OC Show InChI InChI=1S/C26H25N3O4/c1-31-24-10-8-21(14-25(24)32-2)28-15-17-3-5-18(6-4-17)26(30)29-23-13-19(7-9-22(23)27)20-11-12-33-16-20/h3-14,16,28H,15,27H2,1-2H3,(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19414 (N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{[(3,4-dimet...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2cccs2)cc1OC Show InChI InChI=1S/C26H25N3O3S/c1-31-23-12-10-20(15-24(23)32-2)28-16-17-5-7-18(8-6-17)26(30)29-22-14-19(9-11-21(22)27)25-4-3-13-33-25/h3-15,28H,16,27H2,1-2H3,(H,29,30)	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	80	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19415 (N-(2-amino-5-phenylphenyl)-4-{[(3,4-dimethoxypheny...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cc1OC Show InChI InChI=1S/C28H27N3O3/c1-33-26-15-13-23(17-27(26)34-2)30-18-19-8-10-21(11-9-19)28(32)31-25-16-22(12-14-24(25)29)20-6-4-3-5-7-20/h3-17,30H,18,29H2,1-2H3,(H,31,32)	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	100	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19412 (CHEMBL235674 | benzamide-type inhibitor, 4 | pyrid...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1cccs1 Show InChI InChI=1S/C25H22N4O3S/c26-21-10-9-20(23-4-2-12-33-23)13-22(21)29-24(30)19-7-5-17(6-8-19)15-28-25(31)32-16-18-3-1-11-27-14-18/h1-14H,15-16,26H2,(H,28,31)(H,29,30)	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	100	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19427 (N-[2-amino-5-(thiophen-2-yl)phenyl]-4-methoxybenza...) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C18H16N2O2S/c1-22-14-7-4-12(5-8-14)18(21)20-16-11-13(6-9-15(16)19)17-3-2-10-23-17/h2-11H,19H2,1H3,(H,20,21)	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	200	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19425 (N-[2-amino-5-(thiophen-2-yl)phenyl]quinoxaline-6-c...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc2nccnc2c1)-c1cccs1 Show InChI InChI=1S/C19H14N4OS/c20-14-5-3-12(18-2-1-9-25-18)10-16(14)23-19(24)13-4-6-15-17(11-13)22-8-7-21-15/h1-11H,20H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19420 (4-{[(3,4-dimethoxyphenyl)amino]methyl}-N-(2-hydrox...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2O)cc1OC Show InChI InChI=1S/C22H22N2O4/c1-27-20-12-11-17(13-21(20)28-2)23-14-15-7-9-16(10-8-15)22(26)24-18-5-3-4-6-19(18)25/h3-13,23,25H,14H2,1-2H3,(H,24,26)	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	200	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19420 (4-{[(3,4-dimethoxyphenyl)amino]methyl}-N-(2-hydrox...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2O)cc1OC Show InChI InChI=1S/C22H22N2O4/c1-27-20-12-11-17(13-21(20)28-2)23-14-15-7-9-16(10-8-15)22(26)24-18-5-3-4-6-19(18)25/h3-13,23,25H,14H2,1-2H3,(H,24,26)	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	300	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19413 (CHEMBL211625 | N-(2-aminophenyl)-4-{[(3,4-dimethox...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-20-12-11-17(13-21(20)28-2)24-14-15-7-9-16(10-8-15)22(26)25-19-6-4-3-5-18(19)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)	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	440	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19413 (CHEMBL211625 | N-(2-aminophenyl)-4-{[(3,4-dimethox...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccccc2N)cc1OC Show InChI InChI=1S/C22H23N3O3/c1-27-20-12-11-17(13-21(20)28-2)24-14-15-7-9-16(10-8-15)22(26)25-19-6-4-3-5-18(19)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)	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	500	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19422 (4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N 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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19422 (4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N 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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19426 (N-(2-aminophenyl)-4-methoxybenzamide | benzamide-t...) Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C14H14N2O2/c1-18-11-8-6-10(7-9-11)14(17)16-13-5-3-2-4-12(13)15/h2-9H,15H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19422 (4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19426 (N-(2-aminophenyl)-4-methoxybenzamide | benzamide-t...) Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C14H14N2O2/c1-18-11-8-6-10(7-9-11)14(17)16-13-5-3-2-4-12(13)15/h2-9H,15H2,1H3,(H,16,17)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19426 (N-(2-aminophenyl)-4-methoxybenzamide | benzamide-t...) Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C14H14N2O2/c1-18-11-8-6-10(7-9-11)14(17)16-13-5-3-2-4-12(13)15/h2-9H,15H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19424 (N-(2-aminophenyl)quinoxaline-6-carboxamide | benza...) Show SMILES Nc1ccccc1NC(=O)c1ccc2nccnc2c1 Show InChI InChI=1S/C15H12N4O/c16-11-3-1-2-4-12(11)19-15(20)10-5-6-13-14(9-10)18-8-7-17-13/h1-9H,16H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19424 (N-(2-aminophenyl)quinoxaline-6-carboxamide | benza...) Show SMILES Nc1ccccc1NC(=O)c1ccc2nccnc2c1 Show InChI InChI=1S/C15H12N4O/c16-11-3-1-2-4-12(11)19-15(20)10-5-6-13-14(9-10)18-8-7-17-13/h1-9H,16H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19418 (N-[2-amino-5-(1-benzothiophen-2-yl)phenyl]-4-{[(3,...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2cc3ccccc3s2)cc1OC Show InChI InChI=1S/C30H27N3O3S/c1-35-26-14-12-23(17-27(26)36-2)32-18-19-7-9-20(10-8-19)30(34)33-25-15-22(11-13-24(25)31)29-16-21-5-3-4-6-28(21)37-29/h3-17,32H,18,31H2,1-2H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19419 (N-[2-amino-4-(thiophen-2-yl)phenyl]-4-{[(3,4-dimet...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccc(cc2N)-c2cccs2)cc1OC Show InChI InChI=1S/C26H25N3O3S/c1-31-23-12-10-20(15-24(23)32-2)28-16-17-5-7-18(8-6-17)26(30)29-22-11-9-19(14-21(22)27)25-4-3-13-33-25/h3-15,28H,16,27H2,1-2H3,(H,29,30)	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	>1.00E+4	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19418 (N-[2-amino-5-(1-benzothiophen-2-yl)phenyl]-4-{[(3,...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2cc3ccccc3s2)cc1OC Show InChI InChI=1S/C30H27N3O3S/c1-35-26-14-12-23(17-27(26)36-2)32-18-19-7-9-20(10-8-19)30(34)33-25-15-22(11-13-24(25)31)29-16-21-5-3-4-6-28(21)37-29/h3-17,32H,18,31H2,1-2H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19419 (N-[2-amino-4-(thiophen-2-yl)phenyl]-4-{[(3,4-dimet...) Show SMILES COc1ccc(NCc2ccc(cc2)C(=O)Nc2ccc(cc2N)-c2cccs2)cc1OC Show InChI InChI=1S/C26H25N3O3S/c1-31-23-12-10-20(15-24(23)32-2)28-16-17-5-7-18(8-6-17)26(30)29-22-11-9-19(14-21(22)27)25-4-3-13-33-25/h3-15,28H,16,27H2,1-2H3,(H,29,30)	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	>1.00E+4	n/a	n/a	n/a	n/a	8.0	37
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19426 (N-(2-aminophenyl)-4-methoxybenzamide | benzamide-t...) Show SMILES COc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C14H14N2O2/c1-18-11-8-6-10(7-9-11)14(17)16-13-5-3-2-4-12(13)15/h2-9H,15H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 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 UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19422 (4-(acetylamino)-N-(2-amino-phenyl) benzamide | CI-...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N 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 B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19425 (N-[2-amino-5-(thiophen-2-yl)phenyl]quinoxaline-6-c...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc2nccnc2c1)-c1cccs1 Show InChI InChI=1S/C19H14N4OS/c20-14-5-3-12(18-2-1-9-25-18)10-16(14)23-19(24)13-4-6-15-17(11-13)22-8-7-21-15/h1-11H,20H2,(H,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19427 (N-[2-amino-5-(thiophen-2-yl)phenyl]-4-methoxybenza...) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C18H16N2O2S/c1-22-14-7-4-12(5-8-14)18(21)20-16-11-13(6-9-15(16)19)17-3-2-10-23-17/h2-11H,19H2,1H3,(H,20,21)	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19424 (N-(2-aminophenyl)quinoxaline-6-carboxamide | benza...) Show SMILES Nc1ccccc1NC(=O)c1ccc2nccnc2c1 Show InChI InChI=1S/C15H12N4O/c16-11-3-1-2-4-12(11)19-15(20)10-5-6-13-14(9-10)18-8-7-17-13/h1-9H,16H2,(H,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19424 (N-(2-aminophenyl)quinoxaline-6-carboxamide | benza...) Show SMILES Nc1ccccc1NC(=O)c1ccc2nccnc2c1 Show InChI InChI=1S/C15H12N4O/c16-11-3-1-2-4-12(11)19-15(20)10-5-6-13-14(9-10)18-8-7-17-13/h1-9H,16H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19425 (N-[2-amino-5-(thiophen-2-yl)phenyl]quinoxaline-6-c...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc2nccnc2c1)-c1cccs1 Show InChI InChI=1S/C19H14N4OS/c20-14-5-3-12(18-2-1-9-25-18)10-16(14)23-19(24)13-4-6-15-17(11-13)22-8-7-21-15/h1-11H,20H2,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19427 (N-[2-amino-5-(thiophen-2-yl)phenyl]-4-methoxybenza...) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C18H16N2O2S/c1-22-14-7-4-12(5-8-14)18(21)20-16-11-13(6-9-15(16)19)17-3-2-10-23-17/h2-11H,19H2,1H3,(H,20,21)	PDB 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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc					Assay Description For the enzyme assay, the enzyme fraction was added to fluorescent substrate in the presence of test compounds, and the mixture was incubated for add...				J Med Chem 50: 5543-6 (2007) Article DOI: 10.1021/jm701079h BindingDB Entry DOI: 10.7270/Q2445JS2
					More data for this Ligand-Target Pair