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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50306357   
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
Prostaglandin G/H synthase (Cyclooxygenase-2)


(Ovis aries (Sheep))
BDBM50306357
PNG
(2-(4-(methylsulfonyl)phenyl)-3-phenylquinoline-4-c...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc2ccccc2c(C(O)=O)c1-c1ccccc1
Show InChI InChI=1S/C23H17NO4S/c1-29(27,28)17-13-11-16(12-14-17)22-20(15-7-3-2-4-8-15)21(23(25)26)18-9-5-6-10-19(18)24-22/h2-14H,1H3,(H,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Shahid Beheshti University MC

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme chemiluminescent enzyme assay


Bioorg Med Chem 18: 1029-33 (2010)


Article DOI: 10.1016/j.bmc.2009.12.060
BindingDB Entry DOI: 10.7270/Q2V40V94
More data for this
Ligand-Target Pair