Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50273710
Substrate
n/a
Meas. Tech.
ChEMBL_794981 (CHEMBL1936308)
IC50
650±n/a nM
Citation
 Wiegard, A; Hanekamp, W; Griessbach, K; Fabian, J; Lehr, M Pyrrole alkanoic acid derivatives as nuisance inhibitors of microsomal prostaglandin E2 synthase-1. Eur J Med Chem 48:153-63 (2012) [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:
BDBM50273710
Synonyms:
2-(4-(Biphenyl-4-ylmethylamino)-6-chloropyrimidin-2-ylthio)octanoic acid | CHEMBL462523
Type:
Small organic molecule
Emp. Form.:
C25H28ClN3O2S
Mol. Mass.:
470.027
SMILES:
CCCCCCC(Sc1nc(Cl)cc(NCc2ccc(cc2)-c2ccccc2)n1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: