Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50051789'   

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 (Oryctolagus cuniculus (rabbit))	BDBM50051789 ((2S,5R)-1-{2-[(S)-3-(4-Hydroxy-phenyl)-2-mercapto-...) Show SMILES COc1ccccc1[C@H]1CC[C@H](N1C(=O)CNC(=O)[C@@H](S)Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C23H26N2O6S/c1-31-19-5-3-2-4-16(19)17-10-11-18(23(29)30)25(17)21(27)13-24-22(28)20(32)12-14-6-8-15(26)9-7-14/h2-9,17-18,20,26,32H,10-13H2,1H3,(H,24,28)(H,29,30)/t17-,18+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description In vitro inhibition of neutral endopeptidase				J Med Chem 39: 2594-608 (1996) Article DOI: 10.1021/jm950783c BindingDB Entry DOI: 10.7270/Q25B0353
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