Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051139'   

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))	BDBM50051139 (CHEMBL13863 | N-(3,3,3-Trifluoro-1-isopropyl-2-oxo...) Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)[nH]c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C21H19F3N4O5/c1-10(2)15(17(30)21(22,23)24)25-14(29)9-28-13(11-6-4-3-5-7-11)8-12-16(19(28)32)26-20(33)27-18(12)31/h3-8,10,15H,9H2,1-2H3,(H,25,29)(H2,26,27,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	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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