BDBM50038616 1-(2-Benzyl-4-mercapto-5-phenyl-pentanoyl)-pyrrolidine-2-carboxylic acid::CHEMBL54457

SMILES: OC(=O)C1CCCN1C(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1

InChI Key: InChIKey=AZLPOPCIOIPEGT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50038616   

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 (Homo sapiens (Human))	BDBM50038616 (1-(2-Benzyl-4-mercapto-5-phenyl-pentanoyl)-pyrroli...) Show SMILES OC(=O)C1CCCN1C(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C23H27NO3S/c25-22(24-13-7-12-21(24)23(26)27)19(14-17-8-3-1-4-9-17)16-20(28)15-18-10-5-2-6-11-18/h1-6,8-11,19-21,28H,7,12-16H2,(H,26,27)	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	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibitory potency against Angiotensin I Converting Enzyme				J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50038616 (1-(2-Benzyl-4-mercapto-5-phenyl-pentanoyl)-pyrroli...) Show SMILES OC(=O)C1CCCN1C(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C23H27NO3S/c25-22(24-13-7-12-21(24)23(26)27)19(14-17-8-3-1-4-9-17)16-20(28)15-18-10-5-2-6-11-18/h1-6,8-11,19-21,28H,7,12-16H2,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Tested for inhibitory potency against neutral endopeptidase (NEP)				J Med Chem 37: 1865-73 (1994) BindingDB Entry DOI: 10.7270/Q2474BG6
					More data for this Ligand-Target Pair