Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051154'   

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))	BDBM50051154 (CHEMBL14176 | {(R)-2,4,8-Trioxo-7-[(3,3,3-trifluor...) Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(=O)OC(C)(C)C)c2=O)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C21H25F3N4O7/c1-10(2)14(16(31)21(22,23)24)25-12(29)8-27-7-6-11-15(18(27)33)26-19(34)28(17(11)32)9-13(30)35-20(3,4)5/h6-7,10,14H,8-9H2,1-5H3,(H,25,29)(H,26,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	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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