Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50190737'   

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))	BDBM50190737 (2-((1-((5-ethyl-1,3,4-thiadiazol-2-yl)carbamoyl)cy...) Show SMILES CCc1nnc(NC(=O)C2(CC(CCc3ccccc3)C(O)=O)CCCC2)s1 Show InChI InChI=1S/C21H27N3O3S/c1-2-17-23-24-20(28-17)22-19(27)21(12-6-7-13-21)14-16(18(25)26)11-10-15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3,(H,25,26)(H,22,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of dog NEP				J Med Chem 49: 4409-24 (2006) Article DOI: 10.1021/jm060133g BindingDB Entry DOI: 10.7270/Q2930SS8
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