Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051158'   

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))	BDBM50051158 (2-[(R)-3-(2,2-Dimethoxy-ethyl)-2,4,8-trioxo-6-phen...) Show SMILES COC(Cn1c(=O)[nH]c2c(cc(-c3ccccc3)n(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c2=O)c1=O)OC Show InChI InChI=1S/C25H27F3N4O7/c1-13(2)19(21(34)25(26,27)28)29-17(33)11-31-16(14-8-6-5-7-9-14)10-15-20(23(31)36)30-24(37)32(22(15)35)12-18(38-3)39-4/h5-10,13,18-19H,11-12H2,1-4H3,(H,29,33)(H,30,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	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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