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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50224129'   
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 2


(Mus musculus (Mouse))
BDBM50224129
PNG
(CHEMBL237626 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)cc1
Show InChI InChI=1S/C22H22FNO4S/c1-4-28-22(25)14-17-13-21(16-5-11-20(12-6-16)29(3,26)27)24(15(17)2)19-9-7-18(23)8-10-19/h5-13H,4,14H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Università La Sapienza

Curated by ChEMBL


Assay Description
Inhibition of COX2 in LPS-stimulated J774 cells assessed as inhibition of PGE2 levels by radioimmunoassay


J Med Chem 50: 5403-11 (2007)


Article DOI: 10.1021/jm0707525
BindingDB Entry DOI: 10.7270/Q2PK0FV8
More data for this
Ligand-Target Pair