Compile Data Set for Download or QSAR

Found 377 hits with Last Name = 'bressi' and Initial = 'jc'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317947 ((R)-N-hydroxy-3-(3-(5-methyl-1-(1-methylpiperidin-...) Show SMILES CN1CCC[C@H](C1)n1c(C)c(nc1-c1cccc(\C=C\C(=O)NO)c1)-c1ccccc1 |r| Show InChI InChI=1S/C25H28N4O2/c1-18-24(20-9-4-3-5-10-20)26-25(29(18)22-12-7-15-28(2)17-22)21-11-6-8-19(16-21)13-14-23(30)27-31/h3-6,8-11,13-14,16,22,31H,7,12,15,17H2,1-2H3,(H,27,30)/b14-13+/t22-/m1/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317949 ((R)-N-hydroxy-3-(3-(1-(1-isopropylpiperidin-3-yl)-...) Show SMILES CC(C)N1CCC[C@H](C1)n1c(C)c(nc1-c1cccc(\C=C\C(=O)NO)c1)-c1ccccc1 |r| Show InChI InChI=1S/C27H32N4O2/c1-19(2)30-16-8-13-24(18-30)31-20(3)26(22-10-5-4-6-11-22)28-27(31)23-12-7-9-21(17-23)14-15-25(32)29-33/h4-7,9-12,14-15,17,19,24,33H,8,13,16,18H2,1-3H3,(H,29,32)/b15-14+/t24-/m1/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	5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317960 (3-(3-(5-benzyl-4-methyl-1-phenethyl-1H-imidazol-2-...) Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1Cc1ccccc1 Show InChI InChI=1S/C28H27N3O2/c1-21-26(20-23-11-6-3-7-12-23)31(18-17-22-9-4-2-5-10-22)28(29-21)25-14-8-13-24(19-25)15-16-27(32)30-33/h2-16,19,33H,17-18,20H2,1H3,(H,30,32)/b16-15+	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317946 (CHEMBL1095451 | N-hydroxy-3-(3-(5-methyl-1-pheneth...) Show SMILES Cc1c(nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C27H25N3O2/c1-20-26(23-12-6-3-7-13-23)28-27(30(20)18-17-21-9-4-2-5-10-21)24-14-8-11-22(19-24)15-16-25(31)29-32/h2-16,19,32H,17-18H2,1H3,(H,29,31)/b16-15+	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317948 (6-(1-((R)-1-ethylpiperidin-3-yl)-5-methyl-4-phenyl...) Show SMILES CCN1CCC[C@H](C1)n1c(C)c(nc1-c1cccc(\C=C\C(=O)NO)c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H30N4O2/c1-3-29-16-8-13-23(18-29)30-19(2)25(21-10-5-4-6-11-21)27-26(30)22-12-7-9-20(17-22)14-15-24(31)28-32/h4-7,9-12,14-15,17,23,32H,3,8,13,16,18H2,1-2H3,(H,28,31)/b15-14+/t23-/m1/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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317957 ((R)-3-(3-(4-benzyl-5-methyl-1-(1-methylpiperidin-3...) Show SMILES CN1CCC[C@H](C1)n1c(C)c(Cc2ccccc2)nc1-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C26H30N4O2/c1-19-24(17-20-8-4-3-5-9-20)27-26(30(19)23-12-7-15-29(2)18-23)22-11-6-10-21(16-22)13-14-25(31)28-32/h3-6,8-11,13-14,16,23,32H,7,12,15,17-18H2,1-2H3,(H,28,31)/b14-13+/t23-/m1/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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317954 ((R)-N-hydroxy-3-(3-(1-(1-isopropylpiperidin-3-yl)-...) Show SMILES CC(C)N1CCC[C@H](C1)n1c(nc(C)c1-c1ccccc1)-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C27H32N4O2/c1-19(2)30-16-8-13-24(18-30)31-26(22-10-5-4-6-11-22)20(3)28-27(31)23-12-7-9-21(17-23)14-15-25(32)29-33/h4-7,9-12,14-15,17,19,24,33H,8,13,16,18H2,1-3H3,(H,29,32)/b15-14+/t24-/m1/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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317962 (3-(3-(4,5-dimethyl-1-phenethyl-1H-imidazol-2-yl)ph...) Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1C Show InChI InChI=1S/C22H23N3O2/c1-16-17(2)25(14-13-18-7-4-3-5-8-18)22(23-16)20-10-6-9-19(15-20)11-12-21(26)24-27/h3-12,15,27H,13-14H2,1-2H3,(H,24,26)/b12-11+	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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317953 ((R)-3-(3-(1-(1-ethylpiperidin-3-yl)-4-methyl-5-phe...) Show SMILES CCN1CCC[C@H](C1)n1c(nc(C)c1-c1ccccc1)-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C26H30N4O2/c1-3-29-16-8-13-23(18-29)30-25(21-10-5-4-6-11-21)19(2)27-26(30)22-12-7-9-20(17-22)14-15-24(31)28-32/h4-7,9-12,14-15,17,23,32H,3,8,13,16,18H2,1-2H3,(H,28,31)/b15-14+/t23-/m1/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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317956 (3-(3-(4-benzyl-5-methyl-1-phenethyl-1H-imidazol-2-...) Show SMILES Cc1c(Cc2ccccc2)nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCc1ccccc1 Show InChI InChI=1S/C28H27N3O2/c1-21-26(20-23-11-6-3-7-12-23)29-28(31(21)18-17-22-9-4-2-5-10-22)25-14-8-13-24(19-25)15-16-27(32)30-33/h2-16,19,33H,17-18,20H2,1H3,(H,30,32)/b16-15+	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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317951 (CHEMBL1096433 | N-hydroxy-3-(3-(4-methyl-1-pheneth...) Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C27H25N3O2/c1-20-26(23-12-6-3-7-13-23)30(18-17-21-9-4-2-5-10-21)27(28-20)24-14-8-11-22(19-24)15-16-25(31)29-32/h2-16,19,32H,17-18H2,1H3,(H,29,31)/b16-15+	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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317965 (CHEMBL1099096 | N-hydroxy-3-(3-(1-phenethyl-1H-ben...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCc1ccccc1 Show InChI InChI=1S/C24H21N3O2/c28-23(26-29)14-13-19-9-6-10-20(17-19)24-25-21-11-4-5-12-22(21)27(24)16-15-18-7-2-1-3-8-18/h1-14,17,29H,15-16H2,(H,26,28)/b14-13+	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	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317959 (3-(3-(5-benzyl-4-methyl-1-(2-morpholinoethyl)-1H-i...) Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCN2CCOCC2)c1Cc1ccccc1 Show InChI InChI=1S/C26H30N4O3/c1-20-24(19-21-6-3-2-4-7-21)30(13-12-29-14-16-33-17-15-29)26(27-20)23-9-5-8-22(18-23)10-11-25(31)28-32/h2-11,18,32H,12-17,19H2,1H3,(H,28,31)/b11-10+	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
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317973 ((R)-N-hydroxy-3-(3-(1-(1-methylpiperidin-3-yl)-1H-...) Show SMILES CN1CCC[C@H](C1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C22H24N4O2/c1-25-13-5-8-18(15-25)26-20-10-3-2-9-19(20)23-22(26)17-7-4-6-16(14-17)11-12-21(27)24-28/h2-4,6-7,9-12,14,18,28H,5,8,13,15H2,1H3,(H,24,27)/b12-11+/t18-/m1/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317945 (CHEMBL1095450 | N-hydroxy-3-(3-(5-methyl-1-(2-morp...) Show SMILES Cc1c(nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCN1CCOCC1)-c1ccccc1 Show InChI InChI=1S/C25H28N4O3/c1-19-24(21-7-3-2-4-8-21)26-25(29(19)13-12-28-14-16-32-17-15-28)22-9-5-6-20(18-22)10-11-23(30)27-31/h2-11,18,31H,12-17H2,1H3,(H,27,30)/b11-10+	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
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317983 (CHEMBL1099057 | N-hydroxy-3-(3-(1-(2-(piperidin-1-...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCN1CCCCC1 Show InChI InChI=1S/C23H26N4O2/c28-22(25-29)12-11-18-7-6-8-19(17-18)23-24-20-9-2-3-10-21(20)27(23)16-15-26-13-4-1-5-14-26/h2-3,6-12,17,29H,1,4-5,13-16H2,(H,25,28)/b12-11+	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
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317943 ((R)-3-(3-(1-(1-ethylpiperidin-3-yl)-1H-benzo[d]imi...) Show SMILES CCN1CCC[C@H](C1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C23H26N4O2/c1-2-26-14-6-9-19(16-26)27-21-11-4-3-10-20(21)24-23(27)18-8-5-7-17(15-18)12-13-22(28)25-29/h3-5,7-8,10-13,15,19,29H,2,6,9,14,16H2,1H3,(H,25,28)/b13-12+/t19-/m1/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317958 ((R)-3-(3-(4-benzyl-1-(1-ethylpiperidin-3-yl)-5-met...) Show SMILES CCN1CCC[C@H](C1)n1c(C)c(Cc2ccccc2)nc1-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C27H32N4O2/c1-3-30-16-8-13-24(19-30)31-20(2)25(18-21-9-5-4-6-10-21)28-27(31)23-12-7-11-22(17-23)14-15-26(32)29-33/h4-7,9-12,14-15,17,24,33H,3,8,13,16,18-19H2,1-2H3,(H,29,32)/b15-14+/t24-/m1/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317952 ((R)-N-hydroxy-3-(3-(4-methyl-1-(1-methylpiperidin-...) Show SMILES CN1CCC[C@H](C1)n1c(nc(C)c1-c1ccccc1)-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C25H28N4O2/c1-18-24(20-9-4-3-5-10-20)29(22-12-7-15-28(2)17-22)25(26-18)21-11-6-8-19(16-21)13-14-23(30)27-31/h3-6,8-11,13-14,16,22,31H,7,12,15,17H2,1-2H3,(H,27,30)/b14-13+/t22-/m1/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	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317966 (CHEMBL1097761 | N-hydroxy-3-(3-(1-(3-phenylpropyl)...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCCc1ccccc1 Show InChI InChI=1S/C25H23N3O2/c29-24(27-30)16-15-20-10-6-12-21(18-20)25-26-22-13-4-5-14-23(22)28(25)17-7-11-19-8-2-1-3-9-19/h1-6,8-10,12-16,18,30H,7,11,17H2,(H,27,29)/b16-15+	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317963 ((R)-3-(3-(1-(1-ethylpiperidin-3-yl)-4,5-dimethyl-1...) Show SMILES CCN1CCC[C@H](C1)n1c(C)c(C)nc1-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C21H28N4O2/c1-4-24-12-6-9-19(14-24)25-16(3)15(2)22-21(25)18-8-5-7-17(13-18)10-11-20(26)23-27/h5,7-8,10-11,13,19,27H,4,6,9,12,14H2,1-3H3,(H,23,26)/b11-10+/t19-/m1/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317955 (3-(3-(4-benzyl-5-methyl-1-(2-morpholinoethyl)-1H-i...) Show SMILES Cc1c(Cc2ccccc2)nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCN1CCOCC1 Show InChI InChI=1S/C26H30N4O3/c1-20-24(19-21-6-3-2-4-7-21)27-26(30(20)13-12-29-14-16-33-17-15-29)23-9-5-8-22(18-23)10-11-25(31)28-32/h2-11,18,32H,12-17,19H2,1H3,(H,28,31)/b11-10+	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317972 ((S)-N-hydroxy-3-(3-(1-(piperidin-3-yl)-1H-benzo[d]...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1[C@H]1CCCNC1 |r| Show InChI InChI=1S/C21H22N4O2/c26-20(24-27)11-10-15-5-3-6-16(13-15)21-23-18-8-1-2-9-19(18)25(21)17-7-4-12-22-14-17/h1-3,5-6,8-11,13,17,22,27H,4,7,12,14H2,(H,24,26)/b11-10+/t17-/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317971 ((R)-N-hydroxy-3-(3-(1-(piperidin-3-yl)-1H-benzo[d]...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C21H22N4O2/c26-20(24-27)11-10-15-5-3-6-16(13-15)21-23-18-8-1-2-9-19(18)25(21)17-7-4-12-22-14-17/h1-3,5-6,8-11,13,17,22,27H,4,7,12,14H2,(H,24,26)/b11-10+/t17-/m1/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	12	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317984 (CHEMBL1099058 | N-hydroxy-3-(3-(1-(2-(pyrrolidin-1...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCN1CCCC1 Show InChI InChI=1S/C22H24N4O2/c27-21(24-28)11-10-17-6-5-7-18(16-17)22-23-19-8-1-2-9-20(19)26(22)15-14-25-12-3-4-13-25/h1-2,5-11,16,28H,3-4,12-15H2,(H,24,27)/b11-10+	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
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50317969 ((S)-N-hydroxy-3-(3-(1-(1-phenylethyl)-1H-benzo[d]i...) Show SMILES C[C@@H](c1ccccc1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C24H21N3O2/c1-17(19-9-3-2-4-10-19)27-22-13-6-5-12-21(22)25-24(27)20-11-7-8-18(16-20)14-15-23(28)26-29/h2-17,29H,1H3,(H,26,28)/b15-14+/t17-/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	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317941 ((S)-N-hydroxy-3-(3-(1-(1-methylpiperidin-3-yl)-1H-...) Show SMILES CN1CCC[C@@H](C1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C22H24N4O2/c1-25-13-5-8-18(15-25)26-20-10-3-2-9-19(20)23-22(26)17-7-4-6-16(14-17)11-12-21(27)24-28/h2-4,6-7,9-12,14,18,28H,5,8,13,15H2,1H3,(H,24,27)/b12-11+/t18-/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	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50317956 (3-(3-(4-benzyl-5-methyl-1-phenethyl-1H-imidazol-2-...) Show SMILES Cc1c(Cc2ccccc2)nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCc1ccccc1 Show InChI InChI=1S/C28H27N3O2/c1-21-26(20-23-11-6-3-7-12-23)29-28(31(21)18-17-22-9-4-2-5-10-22)25-14-8-13-24(19-25)15-16-27(32)30-33/h2-16,19,33H,17-18,20H2,1H3,(H,30,32)/b16-15+	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317970 ((+/-)-N-hydroxy-3-(3-(1-(piperidin-3-yl)-1H-benzo[...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1C1CCCNC1 Show InChI InChI=1S/C21H22N4O2/c26-20(24-27)11-10-15-5-3-6-16(13-15)21-23-18-8-1-2-9-19(18)25(21)17-7-4-12-22-14-17/h1-3,5-6,8-11,13,17,22,27H,4,7,12,14H2,(H,24,26)/b11-10+	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	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50317968 ((R)-N-hydroxy-3-(3-(1-(1-phenylethyl)-1H-benzo[d]i...) Show SMILES C[C@H](c1ccccc1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C24H21N3O2/c1-17(19-9-3-2-4-10-19)27-22-13-6-5-12-21(22)25-24(27)20-11-7-8-18(16-20)14-15-23(28)26-29/h2-17,29H,1H3,(H,26,28)/b15-14+/t17-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317942 ((+/-)-3-(3-(1-(1-ethylpiperidin-3-yl)-1H-benzo[d]i...) Show SMILES CCN1CCCC(C1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C23H26N4O2/c1-2-26-14-6-9-19(16-26)27-21-11-4-3-10-20(21)24-23(27)18-8-5-7-17(15-18)12-13-22(28)25-29/h3-5,7-8,10-13,15,19,29H,2,6,9,14,16H2,1H3,(H,25,28)/b13-12+	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	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50317960 (3-(3-(5-benzyl-4-methyl-1-phenethyl-1H-imidazol-2-...) Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1Cc1ccccc1 Show InChI InChI=1S/C28H27N3O2/c1-21-26(20-23-11-6-3-7-12-23)31(18-17-22-9-4-2-5-10-22)28(29-21)25-14-8-13-24(19-25)15-16-27(32)30-33/h2-16,19,33H,17-18,20H2,1H3,(H,30,32)/b16-15+	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	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50317946 (CHEMBL1095451 | N-hydroxy-3-(3-(5-methyl-1-pheneth...) Show SMILES Cc1c(nc(-c2cccc(\C=C\C(=O)NO)c2)n1CCc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C27H25N3O2/c1-20-26(23-12-6-3-7-13-23)28-27(30(20)18-17-21-9-4-2-5-10-21)24-14-8-11-22(19-24)15-16-25(31)29-32/h2-16,19,32H,17-18H2,1H3,(H,29,31)/b16-15+	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	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50317966 (CHEMBL1097761 | N-hydroxy-3-(3-(1-(3-phenylpropyl)...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCCc1ccccc1 Show InChI InChI=1S/C25H23N3O2/c29-24(27-30)16-15-20-10-6-12-21(18-20)25-26-22-13-4-5-14-23(22)28(25)17-7-11-19-8-2-1-3-9-19/h1-6,8-10,12-16,18,30H,7,11,17H2,(H,27,29)/b16-15+	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
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317941 ((S)-N-hydroxy-3-(3-(1-(1-methylpiperidin-3-yl)-1H-...) Show SMILES CN1CCC[C@@H](C1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C22H24N4O2/c1-25-13-5-8-18(15-25)26-20-10-3-2-9-19(20)23-22(26)17-7-4-6-16(14-17)11-12-21(27)24-28/h2-4,6-7,9-12,14,18,28H,5,8,13,15H2,1H3,(H,24,27)/b12-11+/t18-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50317965 (CHEMBL1099096 | N-hydroxy-3-(3-(1-phenethyl-1H-ben...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCc1ccccc1 Show InChI InChI=1S/C24H21N3O2/c28-23(26-29)14-13-19-9-6-10-20(17-19)24-25-21-11-4-5-12-22(21)27(24)16-15-18-7-2-1-3-8-18/h1-14,17,29H,15-16H2,(H,26,28)/b14-13+	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50317977 (3-(3-(1-cyclohexyl-1H-benzo[d]imidazol-2-yl)phenyl...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1C1CCCCC1 Show InChI InChI=1S/C22H23N3O2/c26-21(24-27)14-13-16-7-6-8-17(15-16)22-23-19-11-4-5-12-20(19)25(22)18-9-2-1-3-10-18/h4-8,11-15,18,27H,1-3,9-10H2,(H,24,26)/b14-13+	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50317966 (CHEMBL1097761 | N-hydroxy-3-(3-(1-(3-phenylpropyl)...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCCc1ccccc1 Show InChI InChI=1S/C25H23N3O2/c29-24(27-30)16-15-20-10-6-12-21(18-20)25-26-22-13-4-5-14-23(22)28(25)17-7-11-19-8-2-1-3-9-19/h1-6,8-10,12-16,18,30H,7,11,17H2,(H,27,29)/b16-15+	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50317951 (CHEMBL1096433 | N-hydroxy-3-(3-(4-methyl-1-pheneth...) Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C27H25N3O2/c1-20-26(23-12-6-3-7-13-23)30(18-17-21-9-4-2-5-10-21)27(28-20)24-14-8-11-22(19-24)15-16-25(31)29-32/h2-16,19,32H,17-18H2,1H3,(H,29,31)/b16-15+	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317977 (3-(3-(1-cyclohexyl-1H-benzo[d]imidazol-2-yl)phenyl...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1C1CCCCC1 Show InChI InChI=1S/C22H23N3O2/c26-21(24-27)14-13-16-7-6-8-17(15-16)22-23-19-11-4-5-12-20(19)25(22)18-9-2-1-3-10-18/h4-8,11-15,18,27H,1-3,9-10H2,(H,24,26)/b14-13+	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317968 ((R)-N-hydroxy-3-(3-(1-(1-phenylethyl)-1H-benzo[d]i...) Show SMILES C[C@H](c1ccccc1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C24H21N3O2/c1-17(19-9-3-2-4-10-19)27-22-13-6-5-12-21(22)25-24(27)20-11-7-8-18(16-20)14-15-23(28)26-29/h2-17,29H,1H3,(H,26,28)/b15-14+/t17-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50317972 ((S)-N-hydroxy-3-(3-(1-(piperidin-3-yl)-1H-benzo[d]...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1[C@H]1CCCNC1 |r| Show InChI InChI=1S/C21H22N4O2/c26-20(24-27)11-10-15-5-3-6-16(13-15)21-23-18-8-1-2-9-19(18)25(21)17-7-4-12-22-14-17/h1-3,5-6,8-11,13,17,22,27H,4,7,12,14H2,(H,24,26)/b11-10+/t17-/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	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50232053 (CHEMBL271741 | N-(4-amino-biphenyl-3-yl)-benzamide...) Show SMILES Nc1ccc(cc1NC(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C19H16N2O/c20-17-12-11-16(14-7-3-1-4-8-14)13-18(17)21-19(22)15-9-5-2-6-10-15/h1-13H,20H2,(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 preincubated for 24 hrs followed by 1 hr reaction with substrate by protease coupled end-point assay				Bioorg Med Chem Lett 20: 3142-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.091 BindingDB Entry DOI: 10.7270/Q2HX1CT8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50317965 (CHEMBL1099096 | N-hydroxy-3-(3-(1-phenethyl-1H-ben...) Show SMILES ONC(=O)\C=C\c1cccc(c1)-c1nc2ccccc2n1CCc1ccccc1 Show InChI InChI=1S/C24H21N3O2/c28-23(26-29)14-13-19-9-6-10-20(17-19)24-25-21-11-4-5-12-22(21)27(24)16-15-18-7-2-1-3-8-18/h1-14,17,29H,15-16H2,(H,26,28)/b14-13+	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50317948 (6-(1-((R)-1-ethylpiperidin-3-yl)-5-methyl-4-phenyl...) Show SMILES CCN1CCC[C@H](C1)n1c(C)c(nc1-c1cccc(\C=C\C(=O)NO)c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H30N4O2/c1-3-29-16-8-13-23(18-29)30-19(2)25(21-10-5-4-6-11-21)27-26(30)22-12-7-9-20(17-22)14-15-24(31)28-32/h4-7,9-12,14-15,17,23,32H,3,8,13,16,18H2,1-2H3,(H,28,31)/b15-14+/t23-/m1/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	31	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50317949 ((R)-N-hydroxy-3-(3-(1-(1-isopropylpiperidin-3-yl)-...) Show SMILES CC(C)N1CCC[C@H](C1)n1c(C)c(nc1-c1cccc(\C=C\C(=O)NO)c1)-c1ccccc1 |r| Show InChI InChI=1S/C27H32N4O2/c1-19(2)30-16-8-13-24(18-30)31-20(3)26(22-10-5-4-6-11-22)28-27(31)23-12-7-9-21(17-23)14-15-25(32)29-33/h4-7,9-12,14-15,17,19,24,33H,8,13,16,18H2,1-3H3,(H,29,32)/b15-14+/t24-/m1/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	31	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50317962 (3-(3-(4,5-dimethyl-1-phenethyl-1H-imidazol-2-yl)ph...) Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCc2ccccc2)c1C Show InChI InChI=1S/C22H23N3O2/c1-16-17(2)25(14-13-18-7-4-3-5-8-18)22(23-16)20-10-6-9-19(15-20)11-12-21(26)24-27/h3-12,15,27H,13-14H2,1-2H3,(H,24,26)/b12-11+	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317979 (3-(3-(1-(2-(diethylamino)ethyl)-1H-benzo[d]imidazo...) Show SMILES CCN(CC)CCn1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C22H26N4O2/c1-3-25(4-2)14-15-26-20-11-6-5-10-19(20)23-22(26)18-9-7-8-17(16-18)12-13-21(27)24-28/h5-13,16,28H,3-4,14-15H2,1-2H3,(H,24,27)/b13-12+	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317944 ((S)-3-(3-(1-(1-ethylpiperidin-3-yl)-1H-benzo[d]imi...) Show SMILES CCN1CCC[C@@H](C1)n1c(nc2ccccc12)-c1cccc(\C=C\C(=O)NO)c1 |r| Show InChI InChI=1S/C23H26N4O2/c1-2-26-14-6-9-19(16-26)27-21-11-4-3-10-20(21)24-23(27)18-8-5-7-17(15-18)12-13-22(28)25-29/h3-5,7-8,10-13,15,19,29H,2,6,9,14,16H2,1H3,(H,25,28)/b13-12+/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	31	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50317950 (CHEMBL1096432 | N-hydroxy-3-(3-(4-methyl-1-(2-morp...) Show SMILES Cc1nc(-c2cccc(\C=C\C(=O)NO)c2)n(CCN2CCOCC2)c1-c1ccccc1 Show InChI InChI=1S/C25H28N4O3/c1-19-24(21-7-3-2-4-8-21)29(13-12-28-14-16-32-17-15-28)25(26-19)22-9-5-6-20(18-22)10-11-23(30)27-31/h2-11,18,31H,12-17H2,1H3,(H,27,30)/b11-10+	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	31	n/a	n/a	n/a	n/a	n/a	n/a
Takeda San Diego Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Bioorg Med Chem Lett 20: 3138-41 (2010) Article DOI: 10.1016/j.bmcl.2010.03.092 BindingDB Entry DOI: 10.7270/Q2514058
					More data for this Ligand-Target Pair

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