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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051140'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Neutrophil elastase


(Homo sapiens (Human))		BDBM50051140
PNG
(2-[(R)-3-(2-Morpholin-4-yl-ethyl)-2,4,8-trioxo-2,3...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CCN3CCOCC3)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C21H26F3N5O6/c1-12(2)15(17(31)21(22,23)24)25-14(30)11-28-4-3-13-16(19(28)33)26-20(34)29(18(13)32)6-5-27-7-9-35-10-8-27/h3-4,12,15H,5-11H2,1-2H3,(H,25,30)(H,26,34)
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Article
PubMed
 330n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair