Compile Data Set for Download or QSAR

Found 162 hits with Last Name = 'yan' and Initial = 'tp'   

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 1 (Homo sapiens (Human))	BDBM50277188 (CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50277188 (CHEMBL473270 | N1-(biphenyl-3-yl)-N8-hydroxyoctane...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H24N2O3/c23-19(13-6-1-2-7-14-20(24)22-25)21-18-12-8-11-17(15-18)16-9-4-3-5-10-16/h3-5,8-12,15,25H,1-2,6-7,13-14H2,(H,21,23)(H,22,24)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					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 6 (Homo sapiens (Human))	BDBM50255852 (4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1	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	10	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 6				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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255096 (4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m1/s1	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	10	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 6				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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255853 (4-(((R)-2,3-dihydro-2-oxo-3-phenethylquinoxalin-4(...) Show SMILES ONC(=O)c1ccc(CN2[C@H](CCc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1	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	10	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 6				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
Histone deacetylase 2 (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	Article PubMed	n/a	n/a	10	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 2				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
Histone deacetylase 6 (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	20	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 6				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 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))	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))	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 6 (Homo sapiens (Human))	BDBM50255854 ((R)-tert-butyl 4-(1-(4-(hydroxycarbamoyl)benzyl)-3...) Show SMILES CC(C)(C)OC(=O)NCCCC[C@H]1N(Cc2ccc(cc2)C(=O)NO)c2ccccc2NC1=O |r| Show InChI InChI=1S/C25H32N4O5/c1-25(2,3)34-24(32)26-15-7-6-10-21-23(31)27-19-8-4-5-9-20(19)29(21)16-17-11-13-18(14-12-17)22(30)28-33/h4-5,8-9,11-14,21,33H,6-7,10,15-16H2,1-3H3,(H,26,32)(H,27,31)(H,28,30)/t21-/m1/s1	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	40	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 6				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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255809 (4-(((R)-3-(3,4-difluorobenzyl)-2,3-dihydro-2-oxoqu...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(F)c(F)c3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H19F2N3O3/c24-17-10-7-15(11-18(17)25)12-21-23(30)26-19-3-1-2-4-20(19)28(21)13-14-5-8-16(9-6-14)22(29)27-31/h1-11,21,31H,12-13H2,(H,26,30)(H,27,29)/t21-/m1/s1	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	40	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 6				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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255914 (4-(((R)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m1/s1	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	40	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 6				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
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 6 (Homo sapiens (Human))	BDBM50255910 (4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...) Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1	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	50	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 6				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
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))	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))	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))	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 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 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 6 (Homo sapiens (Human))	BDBM50277329 ((S)-benzyl 1-(6-methoxyquinolin-8-ylamino)-1-oxo-6...) Show SMILES COc1cc(NC(=O)[C@H](CCCCNS(N)(=O)=O)NC(=O)OCc2ccccc2)c2ncccc2c1 |r| Show InChI InChI=1S/C24H29N5O6S/c1-34-19-14-18-10-7-12-26-22(18)21(15-19)28-23(30)20(11-5-6-13-27-36(25,32)33)29-24(31)35-16-17-8-3-2-4-9-17/h2-4,7-10,12,14-15,20,27H,5-6,11,13,16H2,1H3,(H,28,30)(H,29,31)(H2,25,32,33)/t20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					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))	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 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	100	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 6 (Homo sapiens (Human))	BDBM50255912 (4-(((R)-2-((1H-indol-3-yl)methyl)-3,6-dioxopiperaz...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3c[nH]c4ccccc34)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C21H20N4O4/c26-19-11-23-21(28)18(9-15-10-22-17-4-2-1-3-16(15)17)25(19)12-13-5-7-14(8-6-13)20(27)24-29/h1-8,10,18,22,29H,9,11-12H2,(H,23,28)(H,24,27)/t18-/m1/s1	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	110	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 6				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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255097 (4-((2,3-dihydro-2-oxoquinoxalin-4(1H)-yl)methyl)-N...) Show SMILES ONC(=O)c1ccc(CN2CC(=O)Nc3ccccc23)cc1 Show InChI InChI=1S/C16H15N3O3/c20-15-10-19(14-4-2-1-3-13(14)17-15)9-11-5-7-12(8-6-11)16(21)18-22/h1-8,22H,9-10H2,(H,17,20)(H,18,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	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 6				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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50256888 ((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1	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	160	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal FLAG-tagged HDAC1 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255913 (CHEMBL481726 | N-hydroxy-4-(((R)-3,6-dioxo-2-((thi...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3cccs3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C17H17N3O4S/c21-15-9-18-17(23)14(8-13-2-1-7-25-13)20(15)10-11-3-5-12(6-4-11)16(22)19-24/h1-7,14,24H,8-10H2,(H,18,23)(H,19,22)/t14-/m1/s1	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	160	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 6				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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255911 (4-(((R)-2-benzyl-3,6-dioxopiperazin-1-yl)methyl)-N...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)NCC2=O)cc1 |r| Show InChI InChI=1S/C19H19N3O4/c23-17-11-20-19(25)16(10-13-4-2-1-3-5-13)22(17)12-14-6-8-15(9-7-14)18(24)21-26/h1-9,16,26H,10-12H2,(H,20,25)(H,21,24)/t16-/m1/s1	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	170	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 6				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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50256888 ((S)-benzyl 1-oxo-1-(4-phenylthiazol-2-ylamino)-6-(...) Show SMILES NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1 |r| Show InChI InChI=1S/C23H27N5O5S2/c24-35(31,32)25-14-8-7-13-19(27-23(30)33-15-17-9-3-1-4-10-17)21(29)28-22-26-20(16-34-22)18-11-5-2-6-12-18/h1-6,9-12,16,19,25H,7-8,13-15H2,(H,27,30)(H2,24,31,32)(H,26,28,29)/t19-/m0/s1	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	180	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair
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 6 (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 Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					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 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 8 (Homo sapiens (Human))	BDBM50255095 (4-(((S)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m0/s1	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	210	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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50255095 (4-(((S)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m0/s1	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	220	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 6				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
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50255910 (4-(((R)-3-(4-tert-butoxybenzyl)-2,3-dihydro-2-oxoq...) Show SMILES CC(C)(C)Oc1ccc(C[C@H]2N(Cc3ccc(cc3)C(=O)NO)c3ccccc3NC2=O)cc1 |r| Show InChI InChI=1S/C27H29N3O4/c1-27(2,3)34-21-14-10-18(11-15-21)16-24-26(32)28-22-6-4-5-7-23(22)30(24)17-19-8-12-20(13-9-19)25(31)29-33/h4-15,24,33H,16-17H2,1-3H3,(H,28,32)(H,29,31)/t24-/m1/s1	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	250	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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255096 (4-(((R)-3-benzyl-2,3-dihydro-2-oxoquinoxalin-4(1H)...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccccc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m1/s1	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	260	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 2				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
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 6 (Homo sapiens (Human))	BDBM50255851 (4-(((S)-2,3-dihydro-2-oxo-3-((thiophen-2-yl)methyl...) Show SMILES ONC(=O)c1ccc(CN2[C@@H](Cc3cccs3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-20(23-27)15-9-7-14(8-10-15)13-24-18-6-2-1-5-17(18)22-21(26)19(24)12-16-4-3-11-28-16/h1-11,19,27H,12-13H2,(H,22,26)(H,23,25)/t19-/m0/s1	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	310	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 6				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
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50255852 (4-(((R)-3-(4-hydroxybenzyl)-2,3-dihydro-2-oxoquino...) Show SMILES ONC(=O)c1ccc(CN2[C@H](Cc3ccc(O)cc3)C(=O)Nc3ccccc23)cc1 |r| Show InChI InChI=1S/C23H21N3O4/c27-18-11-7-15(8-12-18)13-21-23(29)24-19-3-1-2-4-20(19)26(21)14-16-5-9-17(10-6-16)22(28)25-30/h1-12,21,27,30H,13-14H2,(H,24,29)(H,25,28)/t21-/m1/s1	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	330	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 2				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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50277289 (CHEMBL507114 | N-(quinolin-8-yl)-6-(sulfamoylamino...) Show SMILES NS(=O)(=O)NCCCCCC(=O)Nc1cccc2cccnc12 Show InChI InChI=1S/C15H20N4O3S/c16-23(21,22)18-11-3-1-2-9-14(20)19-13-8-4-6-12-7-5-10-17-15(12)13/h4-8,10,18H,1-3,9,11H2,(H,19,20)(H2,16,21,22)	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	390	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal histidine-tagged HDAC6 expressed in baculovirus by fluorimetry				Bioorg Med Chem Lett 19: 336-40 (2008) Article DOI: 10.1016/j.bmcl.2008.11.081 BindingDB Entry DOI: 10.7270/Q2416WXB
					More data for this Ligand-Target Pair

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