Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50397224
Substrate
n/a
Meas. Tech.
ChEMBL_864584 (CHEMBL2176564)
IC50
800±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:
BDBM50397224
Synonyms:
CHEMBL2172779
Type:
Small organic molecule
Emp. Form.:
C31H21Cl2N3O3S
Mol. Mass.:
586.488
SMILES:
Clc1ccc(cc1)S(=O)(=O)NC(=O)Cc1cn(nc1-c1ccc(cc1)C#Cc1cccc(Cl)c1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: