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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50051150'   
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))
BDBM50051150
PNG
(2-{(R)-2,4,8-Trioxo-6-phenyl-7-[(3,3,3-trifluoro-1...)
Show SMILES CC(C)C(NC(=O)Cn1c(cc2c([nH]c(=O)n(CC(N)=O)c2=O)c1=O)-c1ccccc1)C(=O)C(F)(F)F
Show InChI InChI=1S/C23H22F3N5O6/c1-11(2)17(19(34)23(24,25)26)28-16(33)10-30-14(12-6-4-3-5-7-12)8-13-18(21(30)36)29-22(37)31(20(13)35)9-15(27)32/h3-8,11,17H,9-10H2,1-2H3,(H2,27,32)(H,28,33)(H,29,37)
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Similars

Article
PubMed
15n/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