Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051151'   

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))	BDBM50051151 (CHEMBL273612 | {(R)-2,4,8-Trioxo-7-[(3,3,3-trifluo...) Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(O)=O)c2=O)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C17H17F3N4O7/c1-7(2)11(13(28)17(18,19)20)21-9(25)5-23-4-3-8-12(15(23)30)22-16(31)24(14(8)29)6-10(26)27/h3-4,7,11H,5-6H2,1-2H3,(H,21,25)(H,22,31)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	690	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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