Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50041070'   

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))	BDBM50041070 (3-(4-Hydroxy-phenyl)-2-(2-mercaptomethyl-3-phenyl-...) Show SMILES CCC(C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O)c1ccccc1 Show InChI InChI=1S/C21H25NO4S/c1-2-17(15-6-4-3-5-7-15)18(13-27)20(24)22-19(21(25)26)12-14-8-10-16(23)11-9-14/h3-11,17-19,23,27H,2,12-13H2,1H3,(H,22,24)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.40	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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