Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50041061'   

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 (Homo sapiens (Human))	BDBM50041061 (2-(2-Mercaptomethyl-3-phenyl-butyrylamino)-hexanoi...) Show SMILES CCCCC(NC(=O)C(CS)C(C)c1ccccc1)C(O)=O Show InChI InChI=1S/C17H25NO3S/c1-3-4-10-15(17(20)21)18-16(19)14(11-22)12(2)13-8-6-5-7-9-13/h5-9,12,14-15,22H,3-4,10-11H2,1-2H3,(H,18,19)(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vivo inhibitory potency against neutral endopeptidase by displacement of [3H]-HACBOGly binding in mouse kidney				J Med Chem 37: 1070-83 (1994) BindingDB Entry DOI: 10.7270/Q26W995T
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