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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 = 'BDBM50224128'   
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))
BDBM50224128
PNG
(CHEMBL238027 | ethyl-2-methyl-5-[4-(methylsulfonyl...)
Show SMILES CCOC(=O)Cc1cc(-c2ccc(cc2)S(C)(=O)=O)n(c1C)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C22H21F2NO4S/c1-4-29-22(26)12-16-11-21(15-5-8-18(9-6-15)30(3,27)28)25(14(16)2)17-7-10-19(23)20(24)13-17/h5-11,13H,4,12H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 20n/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