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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 = 'BDBM50474744'   
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))
BDBM50474744
PNG
(CHEMBL353866)
Show SMILES CS(=O)(=O)c1ccc(cc1)C1=C(C(=O)C2(CCCC2)O1)c1ccccc1 |t:11|
Show InChI InChI=1S/C21H20O4S/c1-26(23,24)17-11-9-16(10-12-17)19-18(15-7-3-2-4-8-15)20(22)21(25-19)13-5-6-14-21/h2-4,7-12H,5-6,13-14H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 81.4n/an/an/an/an/an/a



AmorePacific R&D Center

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against prostaglandin G/H synthase 2 using mouse peritoneal macrophage method


J Med Chem 47: 792-804 (2004)


Article DOI: 10.1021/jm020545z
BindingDB Entry DOI: 10.7270/Q2QZ2DPG
More data for this
Ligand-Target Pair