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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin E synthase' and Ligand = 'BDBM50397233'   
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 E synthase


(Homo sapiens (Human))		BDBM50397233
PNG
(CHEMBL2172768)
Show SMILES Cc1c(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c2cc(Br)ccc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C25H22BrClN2O3S/c1-16-3-10-21(11-4-16)33(31,32)28-25(30)14-22-17(2)29(15-18-5-8-20(27)9-6-18)24-12-7-19(26)13-23(22)24/h3-13H,14-15H2,1-2H3,(H,28,30)
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Similars
Article
PubMed
n/an/a 1.75E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as inhibition of PGE2 formation from PGH2 after 15 mins by RP-HPLC a...

J Med Chem 55: 8958-62 (2012)


Article DOI: 10.1021/jm3010543
BindingDB Entry DOI: 10.7270/Q20Z74FD
More data for this
Ligand-Target Pair