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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cyclooxygenase-2' and Monomerid = 50295361   
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))
BDBM50295361
PNG
(2-(4-Methylsulfonylphenyl)-3-phenethyl-1,3-benzthi...)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1Sc2ccccc2C(=O)N1CCc1ccccc1
Show InChI InChI=1S/C23H21NO3S2/c1-29(26,27)19-13-11-18(12-14-19)23-24(16-15-17-7-3-2-4-8-17)22(25)20-9-5-6-10-21(20)28-23/h2-14,23H,15-16H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 80n/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