Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neprilysin' and Ligand = 'BDBM50050127'   

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))	BDBM50050127 ((S)-3-(4-Hydroxy-phenyl)-2-[(2S,3R)-2-((S)-2-merca...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](S)C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O Show InChI InChI=1S/C20H30N2O5S/c1-5-12(4)16(22-19(25)17(28)11(2)3)18(24)21-15(20(26)27)10-13-6-8-14(23)9-7-13/h6-9,11-12,15-17,23,28H,5,10H2,1-4H3,(H,21,24)(H,22,25)(H,26,27)/t12-,15+,16+,17+/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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Inhibitory activity was tested against neutral endopeptidase				J Med Chem 39: 1210-9 (1996) Article DOI: 10.1021/jm950590p BindingDB Entry DOI: 10.7270/Q2DF6RWV
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