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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50295358   
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))
BDBM50295358
PNG
(3-(4-Methylphenyl)-2-(4-methylsulfonylphenyl)-1,3-...)
Show SMILES Cc1ccc(cc1)N1C(Sc2ccccc2C1=O)c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C22H19NO3S2/c1-15-7-11-17(12-8-15)23-21(24)19-5-3-4-6-20(19)27-22(23)16-9-13-18(14-10-16)28(2,25)26/h3-14,22H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Shahid Beheshti University (M.C)

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 by chemiluminescence assay


Bioorg Med Chem 17: 5369-73 (2009)


Article DOI: 10.1016/j.bmc.2009.06.056
BindingDB Entry DOI: 10.7270/Q2XS5VDJ
More data for this
Ligand-Target Pair