BDBM50038631 2-(2-Benzyl-4-mercapto-5-phenyl-pentanoylamino)-3-(4-hydroxy-phenyl)-propionic acid::CHEMBL301703

SMILES: OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1

InChI Key: InChIKey=NAAWHTFUWQMDMG-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 = 50038631   

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))	BDBM50038631 (2-(2-Benzyl-4-mercapto-5-phenyl-pentanoylamino)-3-...) Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C27H29NO4S/c29-23-13-11-21(12-14-23)17-25(27(31)32)28-26(30)22(15-19-7-3-1-4-8-19)18-24(33)16-20-9-5-2-6-10-20/h1-14,22,24-25,29,33H,15-18H2,(H,28,30)(H,31,32)	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	2.40E+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))	BDBM50038631 (2-(2-Benzyl-4-mercapto-5-phenyl-pentanoylamino)-3-...) Show SMILES OC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(S)Cc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C27H29NO4S/c29-23-13-11-21(12-14-23)17-25(27(31)32)28-26(30)22(15-19-7-3-1-4-8-19)18-24(33)16-20-9-5-2-6-10-20/h1-14,22,24-25,29,33H,15-18H2,(H,28,30)(H,31,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	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