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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051142'   
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))		BDBM50051142
PNG
(CHEMBL13804 | N-(3,3,3-Trifluoro-1-isopropyl-2-oxo...)
Show SMILES CC(C)C(NC(=O)Cn1ccc2c([nH]c(=O)n(CC(C)=O)c2=O)c1=O)C(=O)C(F)(F)F
Show InChI InChI=1S/C18H19F3N4O6/c1-8(2)12(14(28)18(19,20)21)22-11(27)7-24-5-4-10-13(16(24)30)23-17(31)25(15(10)29)6-9(3)26/h4-5,8,12H,6-7H2,1-3H3,(H,22,27)(H,23,31)
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Article
PubMed
 310n/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