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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50220448   
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))
BDBM50220448
PNG
(CHEMBL239860 | O2-[(E)-2-(4-fluorophenyl)-3-(4-met...)
Show SMILES CS(=O)(=O)c1ccc(C=C(C(=O)OC[O+]=NN([O-])N2CCCC2)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H22FN3O6S/c1-32(28,29)19-10-4-16(5-11-19)14-20(17-6-8-18(22)9-7-17)21(26)30-15-31-23-25(27)24-12-2-3-13-24/h4-11,14H,2-3,12-13,15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.08E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by enzyme immuno assay


Bioorg Med Chem 15: 6796-801 (2007)


Article DOI: 10.1016/j.bmc.2007.07.021
BindingDB Entry DOI: 10.7270/Q28052B9
More data for this
Ligand-Target Pair