Compile Data Set for Download or QSAR

Found 67 hits Enz. Inhib. hit(s) with all data for entry = 50021900   

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))	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	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229197 (CHEMBL399494 | US9096559, 16 | ethyl 4-((2-amino-5...) Show SMILES CCOC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H21N3O3S/c1-2-27-21(26)23-13-14-5-7-15(8-6-14)20(25)24-18-12-16(9-10-17(18)22)19-4-3-11-28-19/h3-12H,2,13,22H2,1H3,(H,23,26)(H,24,25)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229204 (CHEMBL253870 | US9096559, 14b | [4-(4-amino-biphen...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-14-13-22(20-6-2-1-3-7-20)16-25(24)31-26(32)21-11-9-19(10-12-21)17-30-27(33)34-18-23-8-4-5-15-29-23/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	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	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229200 (CHEMBL251817 | N-(2-amino-5-(thiophen-2-yl)phenyl)...) Show SMILES CCCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C22H23N3O2S/c1-2-4-21(26)24-14-15-6-8-16(9-7-15)22(27)25-19-13-17(10-11-18(19)23)20-5-3-12-28-20/h3,5-13H,2,4,14,23H2,1H3,(H,24,26)(H,25,27)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229194 (CHEMBL251819 | N-(2-amino-5-(thiophen-2-yl)phenyl)...) Show SMILES CCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H21N3O2S/c1-2-20(25)23-13-14-5-7-15(8-6-14)21(26)24-18-12-16(9-10-17(18)22)19-4-3-11-27-19/h3-12H,2,13,22H2,1H3,(H,23,25)(H,24,26)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229201 (CHEMBL253226 | N-(4-amino-biphenyl-3-yl)-4-(butyry...) Show SMILES CCCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C24H25N3O2/c1-2-6-23(28)26-16-17-9-11-19(12-10-17)24(29)27-22-15-20(13-14-21(22)25)18-7-4-3-5-8-18/h3-5,7-15H,2,6,16,25H2,1H3,(H,26,28)(H,27,29)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229193 (CHEMBL400721 | US9096559, 17 | methyl 4-((2-amino-...) Show SMILES COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H19N3O3S/c1-26-20(25)22-12-13-4-6-14(7-5-13)19(24)23-17-11-15(8-9-16(17)21)18-3-2-10-27-18/h2-11H,12,21H2,1H3,(H,22,25)(H,23,24)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229192 (CHEMBL398420 | US9096559, 14f | US9096559, 9 | [4-...) Show SMILES COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C22H21N3O3/c1-28-22(27)24-14-15-7-9-17(10-8-15)21(26)25-20-13-18(11-12-19(20)23)16-5-3-2-4-6-16/h2-13H,14,23H2,1H3,(H,24,27)(H,25,26)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229195 (CHEMBL398617 | N-(4-amino-biphenyl-3-yl)-4-(propio...) Show SMILES CCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C23H23N3O2/c1-2-22(27)25-15-16-8-10-18(11-9-16)23(28)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,27)(H,26,28)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229190 (CHEMBL253869 | N-(4-amino-biphenyl-3-yl)-4-[(3-pyr...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N4O2/c29-25-14-13-24(22-6-2-1-3-7-22)17-26(25)32-28(34)23-11-8-21(9-12-23)19-31-27(33)15-10-20-5-4-16-30-18-20/h1-9,11-14,16-18H,10,15,19,29H2,(H,31,33)(H,32,34)	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50229192 (CHEMBL398420 | US9096559, 14f | US9096559, 9 | [4-...) Show SMILES COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C22H21N3O3/c1-28-22(27)24-14-15-7-9-17(10-8-15)21(26)25-20-13-18(11-12-19(20)23)16-5-3-2-4-6-16/h2-13H,14,23H2,1H3,(H,24,27)(H,25,26)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229202 (CHEMBL400046 | US9096559, 10 | US9096559, 14e | [4...) Show SMILES CCOC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C23H23N3O3/c1-2-29-23(28)25-15-16-8-10-18(11-9-16)22(27)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,28)(H,26,27)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229203 (CHEMBL400929 | N-(2-amino-5-(thiophen-2-yl)phenyl)...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)C2CCCCC2)cc1)-c1cccs1 Show InChI InChI=1S/C25H27N3O2S/c26-21-13-12-20(23-7-4-14-31-23)15-22(21)28-25(30)19-10-8-17(9-11-19)16-27-24(29)18-5-2-1-3-6-18/h4,7-15,18H,1-3,5-6,16,26H2,(H,27,29)(H,28,30)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229198 (CHEMBL400044 | US9096559, 14 | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Oc2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H23N3O3/c28-24-16-15-22(20-7-3-1-4-8-20)17-25(24)30-26(31)21-13-11-19(12-14-21)18-29-27(32)33-23-9-5-2-6-10-23/h1-17H,18,28H2,(H,29,32)(H,30,31)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229191 (CHEMBL252409 | US9096559, 15 | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H25N3O3/c29-25-16-15-24(22-9-5-2-6-10-22)17-26(25)31-27(32)23-13-11-20(12-14-23)18-30-28(33)34-19-21-7-3-1-4-8-21/h1-17H,18-19,29H2,(H,30,33)(H,31,32)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229196 (CHEMBL253227 | N-(4-amino-biphenyl-3-yl)-4-[(cyclo...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)C2CCCCC2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H29N3O2/c28-24-16-15-23(20-7-3-1-4-8-20)17-25(24)30-27(32)22-13-11-19(12-14-22)18-29-26(31)21-9-5-2-6-10-21/h1,3-4,7-8,11-17,21H,2,5-6,9-10,18,28H2,(H,29,31)(H,30,32)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					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	30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	38	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC6				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50229197 (CHEMBL399494 | US9096559, 16 | ethyl 4-((2-amino-5...) Show SMILES CCOC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H21N3O3S/c1-2-27-21(26)23-13-14-5-7-15(8-6-14)20(25)24-18-12-16(9-10-17(18)22)19-4-3-11-28-19/h3-12H,2,13,22H2,1H3,(H,23,26)(H,24,25)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	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	72	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					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	100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC3				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50229193 (CHEMBL400721 | US9096559, 17 | methyl 4-((2-amino-...) Show SMILES COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H19N3O3S/c1-26-20(25)22-12-13-4-6-14(7-5-13)19(24)23-17-11-15(8-9-16(17)21)18-3-2-10-27-18/h2-11H,12,21H2,1H3,(H,22,25)(H,23,24)	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	105	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					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	125	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 2 (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	170	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					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	190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229199 (CHEMBL398884 | thiophene-2-carboxylic acid (4-hydr...) Show SMILES Oc1ccc(cc1NC(=O)c1cccs1)-c1ccccc1 Show InChI InChI=1S/C17H13NO2S/c19-15-9-8-13(12-5-2-1-3-6-12)11-14(15)18-17(20)16-7-4-10-21-16/h1-11,19H,(H,18,20)	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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					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	340	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 3 (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 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	370	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC3				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 8 (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 MMDB PDB Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC8				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50229199 (CHEMBL398884 | thiophene-2-carboxylic acid (4-hydr...) Show SMILES Oc1ccc(cc1NC(=O)c1cccs1)-c1ccccc1 Show InChI InChI=1S/C17H13NO2S/c19-15-9-8-13(12-5-2-1-3-6-12)11-14(15)18-17(20)16-7-4-10-21-16/h1-11,19H,(H,18,20)	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	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC3				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	PDB MMDB 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	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from ERG expressed in HEK293 cells				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50229190 (CHEMBL253869 | N-(4-amino-biphenyl-3-yl)-4-[(3-pyr...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N4O2/c29-25-14-13-24(22-6-2-1-3-7-22)17-26(25)32-28(34)23-11-8-21(9-12-23)19-31-27(33)15-10-20-5-4-16-30-18-20/h1-9,11-14,16-18H,10,15,19,29H2,(H,31,33)(H,32,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]MK-499 from ERG expressed in HEK293 cells				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	PDB 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	6.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC3				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 8 (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	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC8				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	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	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC8				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50229192 (CHEMBL398420 | US9096559, 14f | US9096559, 9 | [4-...) Show SMILES COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C22H21N3O3/c1-28-22(27)24-14-15-7-9-17(10-8-15)21(26)25-20-13-18(11-12-19(20)23)16-5-3-2-4-6-16/h2-13H,14,23H2,1H3,(H,24,27)(H,25,26)	PDB 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	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC3				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 3 (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 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	2.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC3				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 5 (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)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC5				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 7 (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	PDB Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC7				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	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	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC7				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 8 (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	3.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC8				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 5 (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)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC5				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC5				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50229192 (CHEMBL398420 | US9096559, 14f | US9096559, 9 | [4-...) Show SMILES COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C22H21N3O3/c1-28-22(27)24-14-15-7-9-17(10-8-15)21(26)25-20-13-18(11-12-19(20)23)16-5-3-2-4-6-16/h2-13H,14,23H2,1H3,(H,24,27)(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC5				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50229197 (CHEMBL399494 | US9096559, 16 | ethyl 4-((2-amino-5...) Show SMILES CCOC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H21N3O3S/c1-2-27-21(26)23-13-14-5-7-15(8-6-14)20(25)24-18-12-16(9-10-17(18)22)19-4-3-11-28-19/h3-12H,2,13,22H2,1H3,(H,23,26)(H,24,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC5				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50229197 (CHEMBL399494 | US9096559, 16 | ethyl 4-((2-amino-5...) Show SMILES CCOC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H21N3O3S/c1-2-27-21(26)23-13-14-5-7-15(8-6-14)20(25)24-18-12-16(9-10-17(18)22)19-4-3-11-28-19/h3-12H,2,13,22H2,1H3,(H,23,26)(H,24,25)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC6				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 4 (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 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC4				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50229197 (CHEMBL399494 | US9096559, 16 | ethyl 4-((2-amino-5...) Show SMILES CCOC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H21N3O3S/c1-2-27-21(26)23-13-14-5-7-15(8-6-14)20(25)24-18-12-16(9-10-17(18)22)19-4-3-11-28-19/h3-12H,2,13,22H2,1H3,(H,23,26)(H,24,25)	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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC3				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50229193 (CHEMBL400721 | US9096559, 17 | methyl 4-((2-amino-...) Show SMILES COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H19N3O3S/c1-26-20(25)22-12-13-4-6-14(7-5-13)19(24)23-17-11-15(8-9-16(17)21)18-3-2-10-27-18/h2-11H,12,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC4				Bioorg Med Chem Lett 18: 726-31 (2008) Article DOI: 10.1016/j.bmcl.2007.11.047 BindingDB Entry DOI: 10.7270/Q28W3D1M
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 67 total )  |  Next  |  Last  >>

Jump to: