Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50159368'   

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))	BDBM50159368 ((4R)-N'-methyl-N'-[(4-methylbenzene)sulfonyl]-1-(n...) Show SMILES CN(NC(=O)C1C[C@@H](S)CN1S(=O)(=O)c1ccc2ccccc2c1)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C23H25N3O5S3/c1-16-7-10-20(11-8-16)33(28,29)25(2)24-23(27)22-14-19(32)15-26(22)34(30,31)21-12-9-17-5-3-4-6-18(17)13-21/h3-13,19,22,32H,14-15H2,1-2H3,(H,24,27)/t19-,22?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Institute of Pathology Curated by ChEMBL					Assay Description Inhibitory concentration against Neprilysin				J Med Chem 48: 483-98 (2005) Article DOI: 10.1021/jm040857x BindingDB Entry DOI: 10.7270/Q2VM4D1H
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