Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051161'   

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))	BDBM50051161 (CHEMBL276181 | N-(3,3,3-Trifluoro-1-isopropyl-2-ox...) Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n([C@H]3C[C@@H]3c3ccccc3)c2=O)c1=O)C(=O)C(F)(F)F Show InChI InChI=1S/C24H23F3N4O5/c1-12(2)18(20(33)24(25,26)27)28-17(32)11-30-9-8-14-19(22(30)35)29-23(36)31(21(14)34)16-10-15(16)13-6-4-3-5-7-13/h3-9,12,15-16,18H,10-11H2,1-2H3,(H,28,32)(H,29,36)/t15-,16+,18?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	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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