Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051138'   

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))	BDBM50051138 (2-[(R)-3-(4-Methoxy-benzyl)-2,4,8-trioxo-2,3,4,8-t...) Show SMILES COc1ccc(Cn2c(=O)[nH]c3c(ccn(CC(=O)NC(C(C)C)C(=O)C(F)(F)F)c3=O)c2=O)cc1 Show InChI InChI=1S/C23H23F3N4O6/c1-12(2)17(19(32)23(24,25)26)27-16(31)11-29-9-8-15-18(21(29)34)28-22(35)30(20(15)33)10-13-4-6-14(36-3)7-5-13/h4-9,12,17H,10-11H2,1-3H3,(H,27,31)(H,28,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	100	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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