BDBM50039540 (R)-3-Benzylsulfanyl-2-((S)-2-mercaptomethyl-3-phenyl-propionylamino)-propionic acid::CHEMBL84018

SMILES: OC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@@H](CS)Cc1ccccc1

InChI Key: InChIKey=QHBXTFDXKVCACS-MSOLQXFVSA-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 = 50039540   

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))	BDBM50039540 ((R)-3-Benzylsulfanyl-2-((S)-2-mercaptomethyl-3-phe...) Show SMILES OC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@@H](CS)Cc1ccccc1 Show InChI InChI=1S/C20H23NO3S2/c22-19(17(12-25)11-15-7-3-1-4-8-15)21-18(20(23)24)14-26-13-16-9-5-2-6-10-16/h1-10,17-18,25H,11-14H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	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)	BDBM50039540 ((R)-3-Benzylsulfanyl-2-((S)-2-mercaptomethyl-3-phe...) Show SMILES OC(=O)[C@H](CSCc1ccccc1)NC(=O)[C@@H](CS)Cc1ccccc1 Show InChI InChI=1S/C20H23NO3S2/c22-19(17(12-25)11-15-7-3-1-4-8-15)21-18(20(23)24)14-26-13-16-9-5-2-6-10-16/h1-10,17-18,25H,11-14H2,(H,21,22)(H,23,24)/t17-,18+/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	115	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