BDBM50048509 (3S,6S,9aS)-6-((S)-2-Mercapto-3-phenyl-propionylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carboxylic acid::CHEMBL41201

SMILES: OC(=O)[C@@H]1CC[C@@H]2CCC[C@H](NC(=O)[C@@H](S)Cc3ccccc3)C(=O)N12

InChI Key: InChIKey=XPNWKIYXGJWNLW-VGWMRTNUSA-N

Data: 4 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 4 hits for monomerid = 50048509   

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)	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	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
Neutral Endopeptidase (NEP) (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 neutral endopeptidase purified from rat kidney using fluorimetry assay				J Med Chem 40: 1570-7 (1997) Article DOI: 10.1021/jm970041e BindingDB Entry DOI: 10.7270/Q24J0G96
					More data for this Ligand-Target Pair
Neutral Endopeptidase (NEP) (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)	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	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 ACE (Angiotensin I converting enzyme) isolated from rabbit lung extract				J Med Chem 40: 1570-7 (1997) Article DOI: 10.1021/jm970041e BindingDB Entry DOI: 10.7270/Q24J0G96
					More data for this Ligand-Target Pair