BDBM50039532 (R)-2-((S)-2-Mercaptomethyl-4-phenyl-butyrylamino)-4-methylsulfanyl-butyric acid::CHEMBL79592

SMILES: CSCC[C@@H](NC(=O)[C@@H](CS)CCc1ccccc1)C(O)=O

InChI Key: InChIKey=XZJCTWVYKRGLQJ-ZIAGYGMSSA-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 = 50039532   

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)	BDBM50039532 ((R)-2-((S)-2-Mercaptomethyl-4-phenyl-butyrylamino)...) Show SMILES CSCC[C@@H](NC(=O)[C@@H](CS)CCc1ccccc1)C(O)=O Show InChI InChI=1S/C16H23NO3S2/c1-22-10-9-14(16(19)20)17-15(18)13(11-21)8-7-12-5-3-2-4-6-12/h2-6,13-14,21H,7-11H2,1H3,(H,17,18)(H,19,20)/t13-,14-/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Tested in vitro for its inhibitory activity against angiotensin converting enzyme				J Med Chem 37: 2461-76 (1994) BindingDB Entry DOI: 10.7270/Q2571B20
					More data for this Ligand-Target Pair
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50039532 ((R)-2-((S)-2-Mercaptomethyl-4-phenyl-butyrylamino)...) Show SMILES CSCC[C@@H](NC(=O)[C@@H](CS)CCc1ccccc1)C(O)=O Show InChI InChI=1S/C16H23NO3S2/c1-22-10-9-14(16(19)20)17-15(18)13(11-21)8-7-12-5-3-2-4-6-12/h2-6,13-14,21H,7-11H2,1H3,(H,17,18)(H,19,20)/t13-,14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against neutral endopeptidase (NEP)				J Med Chem 37: 2461-76 (1994) BindingDB Entry DOI: 10.7270/Q2571B20
					More data for this Ligand-Target Pair