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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50296828'   
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))
BDBM50296828
PNG
(5-ethyl-2-(2-(4-isobutylpiperazin-1-yl)pyridin-3-y...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCN(CC(C)C)CC1
Show InChI InChI=1S/C24H30N4O3/c1-5-17-13-18(30-4)14-20-21(17)24(29)31-23(26-20)19-7-6-8-25-22(19)28-11-9-27(10-12-28)15-16(2)3/h6-8,13-14,16H,5,9-12,15H2,1-4H3
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Article
PubMed
n/an/a 21n/an/an/an/an/an/a



ActivX Biosciences, Inc

Curated by ChEMBL


Assay Description
Inhibition of human sputum neutrophil elastase by fluorescence based assay


Bioorg Med Chem Lett 19: 4743-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.053
BindingDB Entry DOI: 10.7270/Q2M32VT3
More data for this
Ligand-Target Pair