BDBM50039508 (S)-3-Benzylsulfanyl-2-[(S)-3-(4-chloro-phenyl)-2-mercaptomethyl-propionylamino]-propionic acid::CHEMBL81194

SMILES: OC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@@H](CS)Cc1ccc(Cl)cc1

InChI Key: InChIKey=XFDQFILRGZFZCE-SJLPKXTDSA-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 = 50039508   

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
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50039508 ((S)-3-Benzylsulfanyl-2-[(S)-3-(4-chloro-phenyl)-2-...) Show SMILES OC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@@H](CS)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClNO3S2/c21-17-8-6-14(7-9-17)10-16(11-26)19(23)22-18(20(24)25)13-27-12-15-4-2-1-3-5-15/h1-9,16,18,26H,10-13H2,(H,22,23)(H,24,25)/t16-,18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50039508 ((S)-3-Benzylsulfanyl-2-[(S)-3-(4-chloro-phenyl)-2-...) Show SMILES OC(=O)[C@@H](CSCc1ccccc1)NC(=O)[C@@H](CS)Cc1ccc(Cl)cc1 Show InChI InChI=1S/C20H22ClNO3S2/c21-17-8-6-14(7-9-17)10-16(11-26)19(23)22-18(20(24)25)13-27-12-15-4-2-1-3-5-15/h1-9,16,18,26H,10-13H2,(H,22,23)(H,24,25)/t16-,18-/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	44	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