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Target
Prostaglandin E synthase
Ligand
BDBM50273683
Substrate
n/a
Meas. Tech.
ChEMBL_861608 (CHEMBL2172850)
IC50
1200±n/a nM
Citation
 Hieke, M; Greiner, C; Dittrich, M; Reisen, F; Schneider, G; Schubert-Zsilavecz, M; Werz, O Discovery and biological evaluation of a novel class of dual microsomal prostaglandin E2 synthase-1/5-lipoxygenase inhibitors based on 2-[(4,6-diphenethoxypyrimidin-2-yl)thio]hexanoic acid. J Med Chem 54:4490-507 (2011) [PubMed]  Article 
Target
Name:
Prostaglandin E synthase
Synonyms:
MGST1L1 | MPGES1 | PGES | PIG12 | PTGES | PTGES_HUMAN | Prostaglandin E synthase (PGES-1) | Prostaglandin E synthase 1 (mPGES-1) | Prostaglandin E synthase-1 (PGES-1) | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin E2 synthase-1 ( mPGES-1)
Type:
Protein
Mol. Mass.:
17112.22
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
152
Sequence:
MPAHSLVMSSPALPAFLLCSTLLVIKMYVVAIITGQVRLRKKAFANPEDALRHGGPQYCRSDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPFVAWMHFLVFLVGRVAHTVAYLGKLRAPIRSVTYTLAQLPCASMALQILWEAARHL
  
Inhibitor
Name:
BDBM50273683
Synonyms:
2-(4,6-Diphenethoxypyrimidin-2-ylthio)hexanoic acid | CHEMBL461883
Type:
Small organic molecule
Emp. Form.:
C26H30N2O4S
Mol. Mass.:
466.592
SMILES:
CCCCC(Sc1nc(OCCc2ccccc2)cc(OCCc2ccccc2)n1)C(O)=O
Structure:
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