Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50039516'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neprilysin (Oryctolagus cuniculus (rabbit))	BDBM50039516 ((R)-4-Ethylsulfanyl-2-((S)-2-mercaptomethyl-3-phen...) Show SMILES CCSCC[C@@H](NC(=O)[C@@H](CS)Cc1ccccc1)C(O)=O Show InChI InChI=1S/C16H23NO3S2/c1-2-22-9-8-14(16(19)20)17-15(18)13(11-21)10-12-6-4-3-5-7-12/h3-7,13-14,21H,2,8-11H2,1H3,(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	5	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
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