Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051157'   

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))	BDBM50051157 (CHEMBL275723 | N-(3,3,3-Trifluoro-1-isopropyl-2-ox...) Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)[nH]c2=O)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C15H15F3N4O5/c1-6(2)9(11(24)15(16,17)18)19-8(23)5-22-4-3-7-10(13(22)26)20-14(27)21-12(7)25/h3-4,6,9H,5H2,1-2H3,(H,19,23)(H2,20,21,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	910	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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