Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50435043
Substrate
n/a
Meas. Tech.
ChEMBL_964545 (CHEMBL2393812)
IC50
761±n/a nM
Citation
 Arhancet, GB; Walker, DP; Metz, S; Fobian, YM; Heasley, SE; Carter, JS; Springer, JR; Jones, DE; Hayes, MJ; Shaffer, AF; Jerome, GM; Baratta, MT; Zweifel, B; Moore, WM; Masferrer, JL; Vazquez, ML Discovery and SAR of PF-4693627, a potent, selective and orally bioavailable mPGES-1 inhibitor for the potential treatment of inflammation. Bioorg Med Chem Lett 23:1114-9 (2013) [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:
BDBM50435043
Synonyms:
CHEMBL2391296
Type:
Small organic molecule
Emp. Form.:
C24H34ClN3O3
Mol. Mass.:
447.998
SMILES:
CC(C)Cc1cc2oc(nc2cc1Cl)N1CCC(CC1)C(=O)N[C@H]1CCC[C@H](CO)C1 |r|
Structure:
Search PDB for entries with ligand similarity: