Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50041062'   

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 (Mus musculus)	BDBM50041062 (3-(4-Hydroxy-phenyl)-2-[2-mercaptomethyl-3-(4-meth...) Show SMILES COc1ccc(cc1)C(C)C(CS)C(=O)NC(Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C21H25NO5S/c1-13(15-5-9-17(27-2)10-6-15)18(12-28)20(24)22-19(21(25)26)11-14-3-7-16(23)8-4-14/h3-10,13,18-19,23,28H,11-12H2,1-2H3,(H,22,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.5	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 measuring the 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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