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Target
Prostaglandin E synthase
Ligand
BDBM50500816
Substrate
n/a
Meas. Tech.
ChEMBL_1551033 (CHEMBL3761047)
IC50
2000±n/a nM
Citation
 Iranshahi, M; Chini, MG; Masullo, M; Sahebkar, A; Javidnia, A; Chitsazian Yazdi, M; Pergola, C; Koeberle, A; Werz, O; Pizza, C; Terracciano, S; Piacente, S; Bifulco, G Can Small Chemical Modifications of Natural Pan-inhibitors Modulate the Biological Selectivity? The Case of Curcumin Prenylated Derivatives Acting as HDAC or mPGES-1 Inhibitors. J Nat Prod 78:2867-79 (2015) [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:
BDBM50500816
Synonyms:
CHEMBL3758656
Type:
Small organic molecule
Emp. Form.:
C51H68O6
Mol. Mass.:
777.082
SMILES:
[#6]-[#8]-c1cc(\[#6]=[#6]\[#6](=O)-[#6](-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c2)ccc1-[#8]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6]
Structure:
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