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Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase' and Ligand = 'BDBM50169047'   
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
Cyclooxygenase


(Homo sapiens (human))
BDBM50169047
PNG
((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)
Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O
Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1
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Article
PubMed
n/an/a 730n/an/an/an/an/an/a



Shanghai Haini Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated and PMA-treated human U937 cells assessed as PGE2 production after 15 mins by ELISA


Bioorg Med Chem Lett 21: 3578-82 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.114
BindingDB Entry DOI: 10.7270/Q2DN45H6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)