Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051135'   

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
Neutrophil elastase (Homo sapiens (Human))	BDBM50051135 (2-((R)-3-Naphthalen-1-ylmethyl-2,4,8-trioxo-2,3,4,...) Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(Cc3cccc4ccccc34)c2=O)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C26H23F3N4O5/c1-14(2)20(22(35)26(27,28)29)30-19(34)13-32-11-10-18-21(24(32)37)31-25(38)33(23(18)36)12-16-8-5-7-15-6-3-4-9-17(15)16/h3-11,14,20H,12-13H2,1-2H3,(H,30,34)(H,31,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Human Neutrophil Elastase-catalyzed hydrolysis of the synthetic substrate MeO-Suc-Ala-Ala-Pro-Val-p- nitroanilide.				J Med Chem 39: 1112-24 (1996) Article DOI: 10.1021/jm950684z BindingDB Entry DOI: 10.7270/Q25Q4V6Z
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