Reaction Details  Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50397233
Substrate
n/a
Meas. Tech.
ChEMBL_864584 (CHEMBL2176564)
IC50
1750±n/a nM
Citation
 Elkady, M; Nieß, R; Schaible, AM; Bauer, J; Luderer, S; Ambrosi, G; Werz, O; Laufer, SA Modified acidic nonsteroidal anti-inflammatory drugs as dual inhibitors of mPGES-1 and 5-LOX. J Med Chem 55:8958-62 (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:
BDBM50397233
Synonyms:
CHEMBL2172768
Type:
Small organic molecule
Emp. Form.:
C25H22BrClN2O3S
Mol. Mass.:
545.876
SMILES:
Cc1c(CC(=O)NS(=O)(=O)c2ccc(C)cc2)c2cc(Br)ccc2n1Cc1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: