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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil elastase' and Ligand = 'BDBM50296803'   
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))
BDBM50296803
PNG
(1-(3-(5-ethyl-7-methoxy-4-oxo-4H-benzo[d][1,3]oxaz...)
Show SMILES CCc1cc(OC)cc2nc(oc(=O)c12)-c1cccnc1N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C22H23N3O5/c1-3-13-11-15(29-2)12-17-18(13)22(28)30-20(24-17)16-5-4-8-23-19(16)25-9-6-14(7-10-25)21(26)27/h4-5,8,11-12,14H,3,6-7,9-10H2,1-2H3,(H,26,27)
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Article
PubMed
n/an/a 28n/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