Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051159'   

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))	BDBM50051159 (2-((R)-3-Dimethylamino-2,4,8-trioxo-6-phenyl-2,3,4...) Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(N(C)C)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F Show InChI InChI=1S/C23H24F3N5O5/c1-12(2)17(19(33)23(24,25)26)27-16(32)11-30-15(13-8-6-5-7-9-13)10-14-18(21(30)35)28-22(36)31(20(14)34)29(3)4/h5-10,12,17H,11H2,1-4H3,(H,27,32)(H,28,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	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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