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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50220446   
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))
BDBM50220446
PNG
(CHEMBL392114 | O2-[(E)-2-(4-acetylaminophenyl)-3-(...)
Show SMILES CC(=O)Nc1ccc(cc1)C(=Cc1ccc(cc1)S(C)(=O)=O)C(=O)OC[O+]=NN([O-])N1CCCC1
Show InChI InChI=1S/C23H26N4O7S/c1-17(28)24-20-9-7-19(8-10-20)22(15-18-5-11-21(12-6-18)35(2,31)32)23(29)33-16-34-25-27(30)26-13-3-4-14-26/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,24,28)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 940n/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