BDBM50048507 CHEMBL299169::[(S)-3-((S)-2-Mercapto-3-phenyl-propionylamino)-2-oxo-azepan-1-yl]-acetic acid

SMILES: OC(=O)CN1CCCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C1=O

InChI Key: InChIKey=DDYFSJLRMHFOPK-KBPBESRZSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50048507   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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	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
Neutral Endopeptidase (NEP) (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
Angiotensin-converting enzyme (Homo sapiens (Human))	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 DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Angiotensin I converting enzyme				Bioorg Med Chem Lett 4: 1795-1800 (1994) Article DOI: 10.1016/S0960-894X(01)80373-5 BindingDB Entry DOI: 10.7270/Q2Z60Q76
					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	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
Neprilysin (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Neutral Endopeptidase (NEP)				Bioorg Med Chem Lett 4: 1795-1800 (1994) Article DOI: 10.1016/S0960-894X(01)80373-5 BindingDB Entry DOI: 10.7270/Q2Z60Q76
					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (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