Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50140172
Substrate
n/a
Meas. Tech.
ChEMBL_1551033 (CHEMBL3761047)
IC50
220±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:
BDBM50140172
Synonyms:
CHEBI:3962 | CHEMBL140 | Curcumin | US9409845, Table 1, Compound 21: curcumin
Type:
Small organic molecule
Emp. Form.:
C21H20O6
Mol. Mass.:
368.3799
SMILES:
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
Structure:
Search PDB for entries with ligand similarity: