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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50150720   
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))
BDBM50150720
PNG
(4-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-6...)
Show SMILES CSc1ccc(cc1)-c1cc(-c2ccc(F)cc2)c(-c2ccc(cc2)S(C)(=O)=O)c(=O)o1
Show InChI InChI=1S/C25H19FO4S2/c1-31-20-11-5-17(6-12-20)23-15-22(16-3-9-19(26)10-4-16)24(25(27)30-23)18-7-13-21(14-8-18)32(2,28)29/h3-15H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



University of Alberta

Curated by ChEMBL


Assay Description
Inhibition of ovine Prostaglandin G/H synthase 2


J Med Chem 47: 3972-90 (2004)


Article DOI: 10.1021/jm049939b
BindingDB Entry DOI: 10.7270/Q22F7MXX
More data for this
Ligand-Target Pair