Compile Data Set for Download or QSAR

Found 78 hits with Last Name = 'cimarusti' and Initial = 'mp'   

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))	BDBM50281226 (CHEMBL328736 | N-[(S)-1-[(2R,3S)-4-((R)-Butylsulfa...) Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C Show InChI InChI=1S/C35H57N5O8S2/c1-5-6-17-38-50(47,48)23-31(41)32(42)29(19-26-15-11-8-12-16-26)39-34(44)30(20-28-21-36-24-37-28)40-33(43)27(18-25-13-9-7-10-14-25)22-49(45,46)35(2,3)4/h7,9-10,13-14,21,24,26-27,29-32,38,41-42H,5-6,8,11-12,15-20,22-23H2,1-4H3,(H,36,37)(H,39,44)(H,40,43)/t27-,29+,30+,31+,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	0.350	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against human renal renin at pH 7				Bioorg Med Chem Lett 3: 2739-2744 (1993) Article DOI: 10.1016/S0960-894X(01)80755-1 BindingDB Entry DOI: 10.7270/Q2Q52PJ2
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50281231 ((S)-4-Methyl-2-[(S)-2-(2-methyl-propane-2-sulfonyl...) Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C Show InChI InChI=1S/C35H61N3O8S2/c1-7-8-19-36-48(45,46)24-31(39)32(40)29(22-27-17-13-10-14-18-27)37-34(42)30(20-25(2)3)38-33(41)28(21-26-15-11-9-12-16-26)23-47(43,44)35(4,5)6/h9,11-12,15-16,25,27-32,36,39-40H,7-8,10,13-14,17-24H2,1-6H3,(H,37,42)(H,38,41)/t28-,29+,30+,31+,32-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.70	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against human renal renin at pH 7				Bioorg Med Chem Lett 3: 2739-2744 (1993) Article DOI: 10.1016/S0960-894X(01)80755-1 BindingDB Entry DOI: 10.7270/Q2Q52PJ2
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048505 ((S)-2-[(3S,7S)-3-((S)-2-Mercapto-3-phenyl-propiony...) Show SMILES CCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1[C@@H](C)C(O)=O Show InChI InChI=1S/C21H30N2O4S/c1-3-8-16-11-7-12-17(20(25)23(16)14(2)21(26)27)22-19(24)18(28)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-18,28H,3,7-8,11-13H2,1-2H3,(H,22,24)(H,26,27)/t14-,16-,17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50073120 ((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...) Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 |r| Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048509 ((3S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...) Show SMILES OC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C19H24N2O4S/c22-17(16(26)11-12-5-2-1-3-6-12)20-14-8-4-7-13-9-10-15(19(24)25)21(13)18(14)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048512 (CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50073118 (CHEMBL319237 | [(S)-8-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1C(=O)[C@H](CCCC11CCCC1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C21H28N2O4S/c24-18(25)14-23-20(27)16(9-6-12-21(23)10-4-5-11-21)22-19(26)17(28)13-15-7-2-1-3-8-15/h1-3,7-8,16-17,28H,4-6,9-14H2,(H,22,26)(H,24,25)/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048504 (CHEMBL148155 | [(3S,7R)-7-Allyl-3-((S)-2-mercapto-...) Show SMILES OC(=O)CN1[C@@H](CC=C)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C20H26N2O4S/c1-2-7-15-10-6-11-16(20(26)22(15)13-18(23)24)21-19(25)17(27)12-14-8-4-3-5-9-14/h2-5,8-9,15-17,27H,1,6-7,10-13H2,(H,21,25)(H,23,24)/t15-,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50073120 ((4S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...) Show SMILES OC(=O)[C@@H]1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 |r| Show InChI InChI=1S/C19H24N2O4S2/c22-17(15(26)11-12-5-2-1-3-6-12)20-13-9-10-27-16-8-4-7-14(19(24)25)21(16)18(13)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substr...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048506 (CHEMBL104054 | [(3S,7S)-3-((S)-2-Mercapto-3-phenyl...) Show SMILES C[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048506 (CHEMBL104054 | [(3S,7S)-3-((S)-2-Mercapto-3-phenyl...) Show SMILES C[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50073121 (CHEMBL430484 | [(S)-6-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1C(=O)[C@H](CCCC11CC1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C19H24N2O4S/c22-16(23)12-21-18(25)14(7-4-8-19(21)9-10-19)20-17(24)15(26)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,26H,4,7-12H2,(H,20,24)(H,22,23)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048515 (CHEMBL345021 | [(3S,7R)-7-Isobutyl-3-((S)-2-mercap...) Show SMILES CC(C)C[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C21H30N2O4S/c1-14(2)11-16-9-6-10-17(21(27)23(16)13-19(24)25)22-20(26)18(28)12-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,28H,6,9-13H2,1-2H3,(H,22,26)(H,24,25)/t16-,17+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50281229 (1H-Indole-2-carboxylic acid [(S)-1-[4-((S,S,R)-but...) Show SMILES CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cc2ccccc2[nH]1 Show InChI InChI=1S/C30H44N6O6S/c1-2-3-13-33-43(41,42)18-27(37)28(38)24(14-20-9-5-4-6-10-20)35-30(40)26(16-22-17-31-19-32-22)36-29(39)25-15-21-11-7-8-12-23(21)34-25/h7-8,11-12,15,17,19-20,24,26-28,33-34,37-38H,2-6,9-10,13-14,16,18H2,1H3,(H,31,32)(H,35,40)(H,36,39)/t24-,26-,27+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against human renal renin at pH 7				Bioorg Med Chem Lett 3: 2739-2744 (1993) Article DOI: 10.1016/S0960-894X(01)80755-1 BindingDB Entry DOI: 10.7270/Q2Q52PJ2
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048500 ((4S,7S,10aS)-7-((S)-2-Mercapto-3-phenyl-propionyla...) Show SMILES OC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C20H26N2O4S/c23-18(17(27)12-13-6-2-1-3-7-13)21-15-10-4-8-14-9-5-11-16(20(25)26)22(14)19(15)24/h1-3,6-7,14-17,27H,4-5,8-12H2,(H,21,23)(H,25,26)/t14-,15-,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048513 (CHEMBL147043 | [(3S,7S)-3-((S)-2-Mercapto-3-phenyl...) Show SMILES CCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C20H28N2O4S/c1-2-7-15-10-6-11-16(20(26)22(15)13-18(23)24)21-19(25)17(27)12-14-8-4-3-5-9-14/h3-5,8-9,15-17,27H,2,6-7,10-13H2,1H3,(H,21,25)(H,23,24)/t15-,16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048512 (CHEMBL299639 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1c2ccccc2CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H22N2O4S/c24-19(25)13-23-17-9-5-4-8-15(17)10-11-16(21(23)27)22-20(26)18(28)12-14-6-2-1-3-7-14/h1-9,16,18,28H,10-13H2,(H,22,26)(H,24,25)/t16-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50073119 (CHEMBL107747 | Gemopatrilat | [(S)-6-((S)-2-Mercap...) Show SMILES CC1(C)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C19H26N2O4S/c1-19(2)10-6-9-14(18(25)21(19)12-16(22)23)20-17(24)15(26)11-13-7-4-3-5-8-13/h3-5,7-8,14-15,26H,6,9-12H2,1-2H3,(H,20,24)(H,22,23)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG 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
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048502 (CHEMBL343191 | [(3S,7R)-3-((S)-2-Mercapto-3-phenyl...) Show SMILES CCC[C@@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C20H28N2O4S/c1-2-7-15-10-6-11-16(20(26)22(15)13-18(23)24)21-19(25)17(27)12-14-8-4-3-5-9-14/h3-5,8-9,15-17,27H,2,6-7,10-13H2,1H3,(H,21,25)(H,23,24)/t15-,16+,17+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048517 (CHEMBL318096 | [(3S,7R)-3-((S)-2-Mercapto-3-phenyl...) Show SMILES C[C@@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14+,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048517 (CHEMBL318096 | [(3S,7R)-3-((S)-2-Mercapto-3-phenyl...) Show SMILES C[C@@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14+,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG 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
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048508 (CHEMBL147153 | [(3S,7R)-7-Cyclopentyl-3-((S)-2-mer...) Show SMILES OC(=O)CN1[C@H](CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)C1CCCC1 Show InChI InChI=1S/C22H30N2O4S/c25-20(26)14-24-18(16-9-4-5-10-16)12-6-11-17(22(24)28)23-21(27)19(29)13-15-7-2-1-3-8-15/h1-3,7-8,16-19,29H,4-6,9-14H2,(H,23,27)(H,25,26)/t17-,18+,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048505 ((S)-2-[(3S,7S)-3-((S)-2-Mercapto-3-phenyl-propiony...) Show SMILES CCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1[C@@H](C)C(O)=O Show InChI InChI=1S/C21H30N2O4S/c1-3-8-16-11-7-12-17(20(25)23(16)14(2)21(26)27)22-19(24)18(28)13-15-9-5-4-6-10-15/h4-6,9-10,14,16-18,28H,3,7-8,11-13H2,1-2H3,(H,22,24)(H,26,27)/t14-,16-,17-,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048509 ((3S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylam...) Show SMILES OC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C19H24N2O4S/c22-17(16(26)11-12-5-2-1-3-6-12)20-14-8-4-7-13-9-10-15(19(24)25)21(13)18(14)23/h1-3,5-6,13-16,26H,4,7-11H2,(H,20,22)(H,24,25)/t13-,14-,15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048507 (CHEMBL299169 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C17H22N2O4S/c20-15(21)11-19-9-5-4-8-13(17(19)23)18-16(22)14(24)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,24H,4-5,8-11H2,(H,18,22)(H,20,21)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048507 (CHEMBL299169 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C17H22N2O4S/c20-15(21)11-19-9-5-4-8-13(17(19)23)18-16(22)14(24)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,24H,4-5,8-11H2,(H,18,22)(H,20,21)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048501 (CHEMBL146823 | [(3S,7R)-7-Cyclopropylmethyl-3-((S)...) Show SMILES OC(=O)CN1[C@@H](CC2CC2)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H28N2O4S/c24-19(25)13-23-16(11-15-9-10-15)7-4-8-17(21(23)27)22-20(26)18(28)12-14-5-2-1-3-6-14/h1-3,5-6,15-18,28H,4,7-13H2,(H,22,26)(H,24,25)/t16-,17+,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048516 ((S)-2-[(3S,7S)-3-((S)-2-Mercapto-3-phenyl-propiony...) Show SMILES CCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1[C@@H](CC)C(O)=O Show InChI InChI=1S/C22H32N2O4S/c1-3-9-16-12-8-13-17(21(26)24(16)18(4-2)22(27)28)23-20(25)19(29)14-15-10-6-5-7-11-15/h5-7,10-11,16-19,29H,3-4,8-9,12-14H2,1-2H3,(H,23,25)(H,27,28)/t16-,17-,18-,19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048511 (CHEMBL146371 | [(3S,7R)-7-(2-Hydroxy-ethyl)-3-((S)...) Show SMILES OCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C19H26N2O5S/c22-10-9-14-7-4-8-15(19(26)21(14)12-17(23)24)20-18(25)16(27)11-13-5-2-1-3-6-13/h1-3,5-6,14-16,22,27H,4,7-12H2,(H,20,25)(H,23,24)/t14-,15+,16+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048500 ((4S,7S,10aS)-7-((S)-2-Mercapto-3-phenyl-propionyla...) Show SMILES OC(=O)[C@@H]1CCC[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12 Show InChI InChI=1S/C20H26N2O4S/c23-18(17(27)12-13-6-2-1-3-7-13)21-15-10-4-8-14-9-5-11-16(20(25)26)22(14)19(15)24/h1-3,6-7,14-17,27H,4-5,8-12H2,(H,21,23)(H,25,26)/t14-,15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048510 ((S)-2-[(S)-3-((S)-2-Mercapto-3-phenyl-propionylami...) Show SMILES C[C@H](N1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12(18(23)24)20-10-6-5-9-14(17(20)22)19-16(21)15(25)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,21)(H,23,24)/t12-,14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50073122 (CHEMBL107275 | [(S)-7-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1C(=O)[C@H](CCCC11CCC1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C20H26N2O4S/c23-17(24)13-22-19(26)15(8-4-9-20(22)10-5-11-20)21-18(25)16(27)12-14-6-2-1-3-7-14/h1-3,6-7,15-16,27H,4-5,8-13H2,(H,21,25)(H,23,24)/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against Angiotensin I converting enzyme (ACE) isolated from rabbit lung extract using hippuryl-L-histidyl-L-leucine (HHL...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50048514 ((S)-1-[(S)-2-((S)-2-Mercapto-3-phenyl-propionylami...) Show SMILES C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C17H22N2O4S/c1-11(16(21)19-9-5-8-13(19)17(22)23)18-15(20)14(24)10-12-6-3-2-4-7-12/h2-4,6-7,11,13-14,24H,5,8-10H2,1H3,(H,18,20)(H,22,23)/t11-,13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of Angiotensin I converting enzyme isolated from rabbit lung extract.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048511 (CHEMBL146371 | [(3S,7R)-7-(2-Hydroxy-ethyl)-3-((S)...) Show SMILES OCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C19H26N2O5S/c22-10-9-14-7-4-8-15(19(26)21(14)12-17(23)24)20-18(25)16(27)11-13-5-2-1-3-6-13/h1-3,5-6,14-16,22,27H,4,7-12H2,(H,20,25)(H,23,24)/t14-,15+,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG 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
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048518 ((S)-2-[(S)-3-((S)-2-Mercapto-3-phenyl-propionylami...) Show SMILES OC(=O)[C@H](Cc1ccccc1)N1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C24H28N2O4S/c27-22(21(31)16-18-11-5-2-6-12-18)25-19-13-7-8-14-26(23(19)28)20(24(29)30)15-17-9-3-1-4-10-17/h1-6,9-12,19-21,31H,7-8,13-16H2,(H,25,27)(H,29,30)/t19-,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048513 (CHEMBL147043 | [(3S,7S)-3-((S)-2-Mercapto-3-phenyl...) Show SMILES CCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C20H28N2O4S/c1-2-7-15-10-6-11-16(20(26)22(15)13-18(23)24)21-19(25)17(27)12-14-8-4-3-5-9-14/h3-5,8-9,15-17,27H,2,6-7,10-13H2,1H3,(H,21,25)(H,23,24)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048506 (CHEMBL104054 | [(3S,7S)-3-((S)-2-Mercapto-3-phenyl...) Show SMILES C[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substr...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048506 (CHEMBL104054 | [(3S,7S)-3-((S)-2-Mercapto-3-phenyl...) Show SMILES C[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50073119 (CHEMBL107747 | Gemopatrilat | [(S)-6-((S)-2-Mercap...) Show SMILES CC1(C)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C19H26N2O4S/c1-19(2)10-6-9-14(18(25)21(19)12-16(22)23)20-17(24)15(26)11-13-7-4-3-5-8-13/h3-5,7-8,14-15,26H,6,9-12H2,1-2H3,(H,20,24)(H,22,23)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substr...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50281234 ((S)-N-[(S)-4-((R,R)-Butylsulfamoyl)-1-cyclohexylme...) Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1 Show InChI InChI=1S/C30H47N5O6S/c1-2-3-16-33-42(40,41)20-27(36)29(38)25(17-23-12-8-5-9-13-23)35-30(39)26(18-24-19-31-21-32-24)34-28(37)15-14-22-10-6-4-7-11-22/h4,6-7,10-11,19,21,23,25-27,29,33,36,38H,2-3,5,8-9,12-18,20H2,1H3,(H,31,32)(H,34,37)(H,35,39)/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	Article	n/a	n/a	64	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against human renal renin at pH 7				Bioorg Med Chem Lett 3: 2739-2744 (1993) Article DOI: 10.1016/S0960-894X(01)80755-1 BindingDB Entry DOI: 10.7270/Q2Q52PJ2
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048504 (CHEMBL148155 | [(3S,7R)-7-Allyl-3-((S)-2-mercapto-...) Show SMILES OC(=O)CN1[C@@H](CC=C)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C20H26N2O4S/c1-2-7-15-10-6-11-16(20(26)22(15)13-18(23)24)21-19(25)17(27)12-14-8-4-3-5-9-14/h2-5,8-9,15-17,27H,1,6-7,10-13H2,(H,21,25)(H,23,24)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048507 (CHEMBL299169 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C17H22N2O4S/c20-15(21)11-19-9-5-4-8-13(17(19)23)18-16(22)14(24)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,24H,4-5,8-11H2,(H,18,22)(H,20,21)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048507 (CHEMBL299169 | [(S)-3-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C17H22N2O4S/c20-15(21)11-19-9-5-4-8-13(17(19)23)18-16(22)14(24)10-12-6-2-1-3-7-12/h1-3,6-7,13-14,24H,4-5,8-11H2,(H,18,22)(H,20,21)/t13-,14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substr...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048516 ((S)-2-[(3S,7S)-3-((S)-2-Mercapto-3-phenyl-propiony...) Show SMILES CCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1[C@@H](CC)C(O)=O Show InChI InChI=1S/C22H32N2O4S/c1-3-9-16-12-8-13-17(21(26)24(16)18(4-2)22(27)28)23-20(25)19(29)14-15-10-6-5-7-11-15/h5-7,10-11,16-19,29H,3-4,8-9,12-14H2,1-2H3,(H,23,25)(H,27,28)/t16-,17-,18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048510 ((S)-2-[(S)-3-((S)-2-Mercapto-3-phenyl-propionylami...) Show SMILES C[C@H](N1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O)C(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12(18(23)24)20-10-6-5-9-14(17(20)22)19-16(21)15(25)11-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,21)(H,23,24)/t12-,14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048501 (CHEMBL146823 | [(3S,7R)-7-Cyclopropylmethyl-3-((S)...) Show SMILES OC(=O)CN1[C@@H](CC2CC2)CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O Show InChI InChI=1S/C21H28N2O4S/c24-19(25)13-23-16(11-15-9-10-15)7-4-8-17(21(23)27)22-20(26)18(28)12-14-5-2-1-3-6-14/h1-3,5-6,15-18,28H,4,7-13H2,(H,22,26)(H,24,25)/t16-,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048517 (CHEMBL318096 | [(3S,7R)-3-((S)-2-Mercapto-3-phenyl...) Show SMILES C[C@@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibition of purified rat kidney Neutral endopeptidase.				J Med Chem 39: 494-502 (1996) Article DOI: 10.1021/jm950677a BindingDB Entry DOI: 10.7270/Q2GF0SM1
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50048517 (CHEMBL318096 | [(3S,7R)-3-((S)-2-Mercapto-3-phenyl...) Show SMILES C[C@@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(O)=O Show InChI InChI=1S/C18H24N2O4S/c1-12-6-5-9-14(18(24)20(12)11-16(21)22)19-17(23)15(25)10-13-7-3-2-4-8-13/h2-4,7-8,12,14-15,25H,5-6,9-11H2,1H3,(H,19,23)(H,21,22)/t12-,14+,15+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substr...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50281242 ((S)-N-[(S)-4-((R,R)-Butylsulfamoyl)-1-cyclohexylme...) Show SMILES CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)CCc1ccccc1 Show InChI InChI=1S/C29H47N5O7S2/c1-2-3-15-32-43(40,41)20-27(35)28(36)25(17-23-12-8-5-9-13-23)33-29(37)26(18-24-19-30-21-31-24)34-42(38,39)16-14-22-10-6-4-7-11-22/h4,6-7,10-11,19,21,23,25-28,32,34-36H,2-3,5,8-9,12-18,20H2,1H3,(H,30,31)(H,33,37)/t25-,26-,27-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	240	n/a	n/a	n/a	n/a	7.0	n/a
TBA Curated by ChEMBL					Assay Description The compound was tested for its inhibitory activity against human renal renin at pH 7				Bioorg Med Chem Lett 3: 2739-2744 (1993) Article DOI: 10.1016/S0960-894X(01)80755-1 BindingDB Entry DOI: 10.7270/Q2Q52PJ2
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50073121 (CHEMBL430484 | [(S)-6-((S)-2-Mercapto-3-phenyl-pro...) Show SMILES OC(=O)CN1C(=O)[C@H](CCCC11CC1)NC(=O)[C@@H](S)Cc1ccccc1 Show InChI InChI=1S/C19H24N2O4S/c22-16(23)12-21-18(25)14(7-4-8-19(21)9-10-19)20-17(24)15(26)11-13-5-2-1-3-6-13/h1-3,5-6,14-15,26H,4,7-12H2,(H,20,24)(H,22,23)/t14-,15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	377	n/a	n/a	n/a	n/a	n/a	n/a
The Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified rat kidney neutral endopeptidase (NEP) using a fluorometric assay with dansyl-Gly-Phe-Arg as the substr...				J Med Chem 42: 305-11 (1999) Article DOI: 10.1021/jm980542f BindingDB Entry DOI: 10.7270/Q2DV1J2V
					More data for this Ligand-Target Pair

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