Compile Data Set for Download or QSAR

Found 245 hits with Last Name = 'russo' and Initial = 'a'   

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
Acylamino-acid-releasing enzyme (Sus scrofa)	BDBM50382729 (CHEMBL2023560) Show SMILES CSCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)C(F)(F)F)C(=O)N1CCC[C@@H]1C(=O)N[C@H](Cc1cnc[nH]1)C(N)=O |r| Show InChI InChI=1S/C24H36F3N7O5S/c1-13(2)9-17(33-23(39)24(25,26)27)20(36)31-15(6-8-40-3)22(38)34-7-4-5-18(34)21(37)32-16(19(28)35)10-14-11-29-12-30-14/h11-13,15-18H,4-10H2,1-3H3,(H2,28,35)(H,29,30)(H,31,36)(H,32,37)(H,33,39)/t15-,16-,17-,18-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Biostrutture e Bioimmagini Curated by ChEMBL					Assay Description Inhibition of pig APEH using acetyl-Ala-pNA as substrate incubated for 2 mins prior to substrate addition by spectrophotometry				J Med Chem 55: 2102-11 (2012) Article DOI: 10.1021/jm2013375 BindingDB Entry DOI: 10.7270/Q2BZ672F
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50005305 ((SCRIP)3-[2-(2-tert-Butoxycarbonylamino-3-phenyl-p...) Show SMILES COC(=O)C(O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H49N3O7/c1-20(2)17-24(27(36)32-23(26(35)29(38)40-6)18-21-13-9-7-10-14-21)33-28(37)25(19-22-15-11-8-12-16-22)34-30(39)41-31(3,4)5/h8,11-12,15-16,20-21,23-26,35H,7,9-10,13-14,17-19H2,1-6H3,(H,32,36)(H,33,37)(H,34,39)/t23-,24?,25-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50005305 ((SCRIP)3-[2-(2-tert-Butoxycarbonylamino-3-phenyl-p...) Show SMILES COC(=O)C(O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C Show InChI InChI=1S/C31H49N3O7/c1-20(2)17-24(27(36)32-23(26(35)29(38)40-6)18-21-13-9-7-10-14-21)33-28(37)25(19-22-15-11-8-12-16-22)34-30(39)41-31(3,4)5/h8,11-12,15-16,20-21,23-26,35H,7,9-10,13-14,17-19H2,1-6H3,(H,32,36)(H,33,37)(H,34,39)/t23-,24?,25-,26?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50005306 (4-Cyclohexyl-2-hydroxy-3-{2-[2-(1-oxo-1,3-dihydro-...) Show SMILES CCC[C@H](NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)C(=O)N[C@@H](CC1CCCCC1)C(O)C(=O)OC(C)C Show InChI InChI=1S/C35H47N3O6/c1-4-13-28(32(40)37-29(20-24-14-7-5-8-15-24)31(39)35(43)44-23(2)3)36-33(41)30(21-25-16-9-6-10-17-25)38-22-26-18-11-12-19-27(26)34(38)42/h6,9-12,16-19,23-24,28-31,39H,4-5,7-8,13-15,20-22H2,1-3H3,(H,36,41)(H,37,40)/t28-,29-,30-,31?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50005301 (4-Cyclohexyl-2-hydroxy-3-{2-[2-(1-oxo-1,3-dihydro-...) Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)C(=O)N[C@@H](CC1CCCCC1)C(O)C(=O)OC(C)C Show InChI InChI=1S/C36H49N3O6/c1-4-5-20-29(33(41)38-30(21-25-14-8-6-9-15-25)32(40)36(44)45-24(2)3)37-34(42)31(22-26-16-10-7-11-17-26)39-23-27-18-12-13-19-28(27)35(39)43/h7,10-13,16-19,24-25,29-32,40H,4-6,8-9,14-15,20-23H2,1-3H3,(H,37,42)(H,38,41)/t29-,30-,31-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					More data for this Ligand-Target Pair
Histone deacetylase 9 (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)	Reactome pathway 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	20	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50005311 (4-Cyclohexyl-2-hydroxy-3-{4-methyl-2-[2-(1-oxo-1,3...) Show SMILES COC(=O)C(O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O Show InChI InChI=1S/C34H45N3O6/c1-22(2)18-28(31(39)35-27(30(38)34(42)43-3)19-23-12-6-4-7-13-23)36-32(40)29(20-24-14-8-5-9-15-24)37-21-25-16-10-11-17-26(25)33(37)41/h5,8-11,14-17,22-23,27-30,38H,4,6-7,12-13,18-21H2,1-3H3,(H,35,39)(H,36,40)/t27-,28?,29-,30?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50005309 (4-Cyclohexyl-2-hydroxy-3-{4-methyl-2-[2-(1-oxo-1,3...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O)C(=O)N[C@@H](CC1CCCCC1)C(O)C(=O)OC(C)C Show InChI InChI=1S/C36H49N3O6/c1-23(2)19-30(33(41)37-29(20-25-13-7-5-8-14-25)32(40)36(44)45-24(3)4)38-34(42)31(21-26-15-9-6-10-16-26)39-22-27-17-11-12-18-28(27)35(39)43/h6,9-12,15-18,23-25,29-32,40H,5,7-8,13-14,19-22H2,1-4H3,(H,37,41)(H,38,42)/t29-,30?,31-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					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	61	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50005308 (4-Cyclohexyl-2-hydroxy-3-{4-methyl-2-[2-(1-oxo-1H,...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccccc1)N1Cc2cccc3cccc(C1=O)c23)C(=O)N[C@@H](CC1CCCCC1)C(O)C(=O)OC(C)C Show InChI InChI=1S/C40H51N3O6/c1-25(2)21-33(37(45)41-32(22-27-13-7-5-8-14-27)36(44)40(48)49-26(3)4)42-38(46)34(23-28-15-9-6-10-16-28)43-24-30-19-11-17-29-18-12-20-31(35(29)30)39(43)47/h6,9-12,15-20,25-27,32-34,36,44H,5,7-8,13-14,21-24H2,1-4H3,(H,41,45)(H,42,46)/t32-,33?,34-,36?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					More data for this Ligand-Target Pair
Histone deacetylase 11 (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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC11 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					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	100	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50005303 (4-Cyclohexyl-2-hydroxy-3-{4-methyl-2-[2-(5-oxo-7H-...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccccc1)n1cc2[nH]ccn2c1=O)C(=O)N[C@@H](CC1CCCCC1)C(O)C(=O)OC(C)C Show InChI InChI=1S/C33H47N5O6/c1-21(2)17-26(30(40)35-25(18-23-11-7-5-8-12-23)29(39)32(42)44-22(3)4)36-31(41)27(19-24-13-9-6-10-14-24)38-20-28-34-15-16-37(28)33(38)43/h6,9-10,13-16,20-23,25-27,29,34,39H,5,7-8,11-12,17-19H2,1-4H3,(H,35,40)(H,36,41)/t25-,26?,27-,29?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50005302 (4-Cyclohexyl-2-hydroxy-3-{4-methyl-2-[2-(3-oxo-tet...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccccc1)N1CC2CCCN2C1=O)C(=O)N[C@@H](CC1CCCCC1)C(O)C(=O)OC(C)C Show InChI InChI=1S/C34H52N4O6/c1-22(2)18-28(31(40)35-27(19-24-12-7-5-8-13-24)30(39)33(42)44-23(3)4)36-32(41)29(20-25-14-9-6-10-15-25)38-21-26-16-11-17-37(26)34(38)43/h6,9-10,14-15,22-24,26-30,39H,5,7-8,11-13,16-21H2,1-4H3,(H,35,40)(H,36,41)/t26?,27-,28?,29-,30?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (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)	NCI pathway Reactome pathway 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	150	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC10 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					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	150	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC5 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50005307 (4-Cyclohexyl-2-hydroxy-3-{4-methyl-2-[2-(2-oxo-pyr...) Show SMILES CC(C)CC(NC(=O)[C@H](Cc1ccccc1)N1CCCC1=O)C(=O)N[C@@H](CC1CCCCC1)C(O)C(=O)OC(C)C Show InChI InChI=1S/C32H49N3O6/c1-21(2)18-26(34-31(39)27(35-17-11-16-28(35)36)20-24-14-9-6-10-15-24)30(38)33-25(19-23-12-7-5-8-13-23)29(37)32(40)41-22(3)4/h6,9-10,14-15,21-23,25-27,29,37H,5,7-8,11-13,16-20H2,1-4H3,(H,33,38)(H,34,39)/t25-,26?,27-,29?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					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	180	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC8 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM50005300 (4-Cyclohexyl-2-hydroxy-3-{3-(1H-imidazol-4-yl)-2-[...) Show SMILES COC(=O)C(O)[C@H](CC1CCCCC1)NC(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)N1Cc2ccccc2C1=O Show InChI InChI=1S/C34H41N5O6/c1-45-34(44)30(40)27(16-22-10-4-2-5-11-22)37-31(41)28(18-25-19-35-21-36-25)38-32(42)29(17-23-12-6-3-7-13-23)39-20-24-14-8-9-15-26(24)33(39)43/h3,6-9,12-15,19,21-22,27-30,40H,2,4-5,10-11,16-18,20H2,1H3,(H,35,36)(H,37,41)(H,38,42)/t27-,28?,29-,30?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	186	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50005304 (4-Cyclohexyl-2-hydroxy-3-{4-methyl-2-[2-(5-oxo-5,7...) Show SMILES COC(=O)C(O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)n1cc2[nH]cccc2c1=O Show InChI InChI=1S/C33H44N4O6/c1-21(2)17-26(30(39)35-25(29(38)33(42)43-3)18-22-11-6-4-7-12-22)36-31(40)28(19-23-13-8-5-9-14-23)37-20-27-24(32(37)41)15-10-16-34-27/h5,8-10,13-16,20-22,25-26,28-29,34,38H,4,6-7,11-12,17-19H2,1-3H3,(H,35,39)(H,36,40)/t25-,26?,28-,29?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	207	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					More data for this Ligand-Target Pair
Histone deacetylase 4 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC4 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					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	240	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC2 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	250	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50005310 (4-Cyclohexyl-3-{2-[2-(1,3-dioxo-1H,3H-benzo[de]iso...) Show SMILES COC(=O)C(O)[C@H](CC1CCCCC1)NC(=O)C(CC(C)C)NC(=O)[C@H](Cc1ccccc1)N1C(=O)c2cccc3cccc(C1=O)c23 Show InChI InChI=1S/C38H45N3O7/c1-23(2)20-30(34(43)39-29(33(42)38(47)48-3)21-24-12-6-4-7-13-24)40-35(44)31(22-25-14-8-5-9-15-25)41-36(45)27-18-10-16-26-17-11-19-28(32(26)27)37(41)46/h5,8-11,14-19,23-24,29-31,33,42H,4,6-7,12-13,20-22H2,1-3H3,(H,39,43)(H,40,44)/t29-,30?,31-,33?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	391	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description Inhibition of human recombinant renin				J Med Chem 35: 823-32 (1992) BindingDB Entry DOI: 10.7270/Q25H7F7H
					More data for this Ligand-Target Pair
Lysine-specific demethylase 6B (Homo sapiens (Human))	BDBM50535443 (CHEMBL4591907) Show SMILES Oc1ccc(O)c(c1)-c1nc2ccccc2o1 Show InChI InChI=1S/C13H9NO3/c15-8-5-6-11(16)9(7-8)13-14-10-3-1-2-4-12(10)17-13/h1-7,15-16H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Biomolecular Chemistry (ICB) Curated by ChEMBL					Assay Description Inhibition of recombinant human JMJD3 expressed in baculovirus infected Sf9 cells using biotinylated histone H3 peptide as substrate incubated for 15...				ACS Med Chem Lett 10: 601-605 (2019) Article DOI: 10.1021/acsmedchemlett.8b00589 BindingDB Entry DOI: 10.7270/Q2GF0Z01
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50341854 (CHEMBL1767039 | N9-(3-(6-Chloropyridin-3-yl)phenyl...) Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(Cl)nc1)N=O Show InChI InChI=1S/C21H25ClN4O3/c1-23-21(28)18(26-29)9-4-2-3-5-10-20(27)25-17-8-6-7-15(13-17)16-11-12-19(22)24-14-16/h6-8,11-14,18H,2-5,9-10H2,1H3,(H,23,28)(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					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	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC7 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50341840 (5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	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	5.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC7 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50341840 (5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	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	8.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50341851 (CHEMBL1767036 | N9-([1,1'-Biphenyl]-3-yl)-2-(hydro...) Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1)N=O Show InChI InChI=1S/C22H27N3O3/c1-23-22(27)20(25-28)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16,20H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26)	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	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50341842 ((S)-2-(Hydroxyimino)-8-((4-methoxybenzyl)amino)-N1...) Show SMILES CNC(=O)C(CCCCC[C@H](NCc1ccc(OC)cc1)C(=O)Nc1ccccc1)N=O |r| Show InChI InChI=1S/C24H32N4O4/c1-25-23(29)22(28-31)12-8-4-7-11-21(24(30)27-19-9-5-3-6-10-19)26-17-18-13-15-20(32-2)16-14-18/h3,5-6,9-10,13-16,21-22,26H,4,7-8,11-12,17H2,1-2H3,(H,25,29)(H,27,30)/t21-,22?/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50341840 (5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)	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	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC5 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50341854 (CHEMBL1767039 | N9-(3-(6-Chloropyridin-3-yl)phenyl...) Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(Cl)nc1)N=O Show InChI InChI=1S/C21H25ClN4O3/c1-23-21(28)18(26-29)9-4-2-3-5-10-20(27)25-17-8-6-7-15(13-17)16-11-12-19(22)24-14-16/h6-8,11-14,18H,2-5,9-10H2,1H3,(H,23,28)(H,25,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50341840 (5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC5 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC10 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50341840 (5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)	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	1.65E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC7 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50341839 (5-(3-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1cccc(N)c1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)9-4-2-3-5-10-22-19(26)16-12-17(28-24-16)13-7-6-8-14(20)11-13/h6-8,11-12,15H,2-5,9-10,20H2,1H3,(H,21,25)(H,22,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC11 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50341842 ((S)-2-(Hydroxyimino)-8-((4-methoxybenzyl)amino)-N1...) Show SMILES CNC(=O)C(CCCCC[C@H](NCc1ccc(OC)cc1)C(=O)Nc1ccccc1)N=O |r| Show InChI InChI=1S/C24H32N4O4/c1-25-23(29)22(28-31)12-8-4-7-11-21(24(30)27-19-9-5-3-6-10-19)26-17-18-13-15-20(32-2)16-14-18/h3,5-6,9-10,13-16,21-22,26H,4,7-8,11-12,17H2,1-2H3,(H,25,29)(H,27,30)/t21-,22?/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	1.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50341853 (2-(Hydroxyimino)-N1-methyl-N9-(3-(pyridine-3-yl)ph...) Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1cccnc1)N=O Show InChI InChI=1S/C21H26N4O3/c1-22-21(27)19(25-28)11-4-2-3-5-12-20(26)24-18-10-6-8-16(14-18)17-9-7-13-23-15-17/h6-10,13-15,19H,2-5,11-12H2,1H3,(H,22,27)(H,24,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50341844 (2-(Hydroxyimino)-N1-methyl-N9-phenylnonanediamide ...) Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1ccccc1)N=O Show InChI InChI=1S/C16H23N3O3/c1-17-16(21)14(19-22)11-7-2-3-8-12-15(20)18-13-9-5-4-6-10-13/h4-6,9-10,14H,2-3,7-8,11-12H2,1H3,(H,17,21)(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	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50341854 (CHEMBL1767039 | N9-(3-(6-Chloropyridin-3-yl)phenyl...) Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(Cl)nc1)N=O Show InChI InChI=1S/C21H25ClN4O3/c1-23-21(28)18(26-29)9-4-2-3-5-10-20(27)25-17-8-6-7-15(13-17)16-11-12-19(22)24-14-16/h6-8,11-14,18H,2-5,9-10H2,1H3,(H,23,28)(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	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50341851 (CHEMBL1767036 | N9-([1,1'-Biphenyl]-3-yl)-2-(hydro...) Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccccc1)N=O Show InChI InChI=1S/C22H27N3O3/c1-23-22(27)20(25-28)14-7-2-3-8-15-21(26)24-19-13-9-12-18(16-19)17-10-5-4-6-11-17/h4-6,9-13,16,20H,2-3,7-8,14-15H2,1H3,(H,23,27)(H,24,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC9 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50341854 (CHEMBL1767039 | N9-(3-(6-Chloropyridin-3-yl)phenyl...) Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(Cl)nc1)N=O Show InChI InChI=1S/C21H25ClN4O3/c1-23-21(28)18(26-29)9-4-2-3-5-10-20(27)25-17-8-6-7-15(13-17)16-11-12-19(22)24-14-16/h6-8,11-14,18H,2-5,9-10H2,1H3,(H,23,28)(H,25,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC5 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50341852 (3'-(8-(Hydroxyimino)-9-(methylamino)-9-oxononanami...) Show SMILES CNC(=O)C(CCCCCCC(=O)Nc1cccc(c1)-c1ccc(cc1)C(O)=O)N=O Show InChI InChI=1S/C23H27N3O5/c1-24-22(28)20(26-31)9-4-2-3-5-10-21(27)25-19-8-6-7-18(15-19)16-11-13-17(14-12-16)23(29)30/h6-8,11-15,20H,2-5,9-10H2,1H3,(H,24,28)(H,25,27)(H,29,30)	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	2.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC3 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50341840 (5-(4-Aminophenyl)-N-(7-(hydroxyimino)-8-(methylami...) Show SMILES CNC(=O)C(CCCCCCNC(=O)c1cc(on1)-c1ccc(N)cc1)N=O Show InChI InChI=1S/C19H25N5O4/c1-21-18(25)15(23-27)6-4-2-3-5-11-22-19(26)16-12-17(28-24-16)13-7-9-14(20)10-8-13/h7-10,12,15H,2-6,11,20H2,1H3,(H,21,25)(H,22,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universita` degli Studi di Siena Curated by ChEMBL					Assay Description Inhibition of human HDAC10 using ArgHisLysLys(Ac) fluorogenic peptide as a substrate by fluorimetric assay				J Med Chem 54: 2165-82 (2011) Article DOI: 10.1021/jm101373a BindingDB Entry DOI: 10.7270/Q2CR5TNZ
					More data for this Ligand-Target Pair

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