Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50035836   

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
Renin (Homo sapiens (Human))	BDBM50012951 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of renin from human				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012951 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of human plasma renin				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012950 (2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)/t26-,29-,30+,32?/m1/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	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of human plasma renin				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012950 (2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(O)C(=O)OC(C)C Show InChI InChI=1S/C35H47N5O7/c1-22(2)16-29(32(42)35(45)47-23(3)4)38-34(44)30(19-27-20-36-21-37-27)39-33(43)26(18-31(41)40-12-14-46-15-13-40)17-25-10-7-9-24-8-5-6-11-28(24)25/h5-11,20-23,26,29-30,32,42H,12-19H2,1-4H3,(H,36,37)(H,38,44)(H,39,43)/t26-,29-,30+,32?/m1/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	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of renin from human				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of Cathepsin D from bovine				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of pepsin from porcine				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012952 (2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...) Show SMILES CC(C)OC(=O)C(O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H45N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h3-14,23-25,29,32-33,35,45H,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33+,35?/m1/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of renin from human				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012952 (2-Hydroxy-3-[3-(1H-imidazol-4-yl)-2-(4-morpholin-4...) Show SMILES CC(C)OC(=O)C(O)[C@@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H45N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h3-14,23-25,29,32-33,35,45H,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33+,35?/m1/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	270	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of human plasma renin				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50228479 (CHEMBL3349575) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of renin from human				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50406108 (CHEMBL2115235) Show SMILES CC(C)OC(=O)[C@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33+,35-/m1/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	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of human plasma renin				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012949 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32+,33-,35?/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	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of renin from human				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50012949 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32+,33-,35?/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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of renin from human				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50406108 (CHEMBL2115235) Show SMILES CC(C)OC(=O)[C@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33+,35-/m1/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	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of renin from human				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50406109 (CHEMBL2114246) Show SMILES CC(C)OC(=O)[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33+,35+/m1/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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of human plasma renin				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50406109 (CHEMBL2114246) Show SMILES CC(C)OC(=O)[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33+,35+/m1/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	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of human plasma renin				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50228479 (CHEMBL3349575) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of renin from human				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Cathepsin D (Bos taurus)	BDBM50012951 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of Cathepsin D from bovine				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of renin from human				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Pepsin A (Porcine)	BDBM50012951 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of pepsin from porcine				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM50012951 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of renin from human				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50012951 (4-Cyclohexyl-2-hydroxy-3-[3-(1H-imidazol-4-yl)-2-(...) Show SMILES CC(C)OC(=O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H51N5O7/c1-25(2)50-38(48)35(45)32(19-26-9-4-3-5-10-26)41-37(47)33(22-30-23-39-24-40-30)42-36(46)29(21-34(44)43-15-17-49-18-16-43)20-28-13-8-12-27-11-6-7-14-31(27)28/h6-8,11-14,23-26,29,32-33,35,45H,3-5,9-10,15-22H2,1-2H3,(H,39,40)(H,41,47)(H,42,46)/t29-,32-,33-,35?/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of Angiotensin I converting enzyme from rabbit.				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of Angiotensin I converting enzyme from rabbit.				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair
Chymotrypsin-C (Homo sapiens (Human))	BDBM912 ((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r| Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kissei Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Tested for inhibition of Chymotrypsinogen from bovine				J Med Chem 33: 2707-14 (1990) BindingDB Entry DOI: 10.7270/Q2N29XJZ
					More data for this Ligand-Target Pair