Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051145'   

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))	BDBM50051145 (2-((R)-3-Methyl-2,4,8-trioxo-2,3,4,8-tetrahydro-1H...) Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(C)c2=O)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C16H17F3N4O5/c1-7(2)10(12(25)16(17,18)19)20-9(24)6-23-5-4-8-11(14(23)27)21-15(28)22(3)13(8)26/h4-5,7,10H,6H2,1-3H3,(H,20,24)(H,21,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	620	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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