Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM124287
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
3±n/a nM
Comments
extracted
Citation
 Priepke, H; Doods, H; Kuelzer, R; Pfau, R; Stenkamp, D; Pelcman, B; Roenn, R 3H-imidazo [4, 5-C] pyridine-6-carboxamides as anti-inflammatory agents US Patent  US8759537 Publication Date 6/24/2014 
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:
BDBM124287
Synonyms:
US8759537, 24
Type:
Small organic molecule
Emp. Form.:
C26H22ClF4N5O2
Mol. Mass.:
547.932
SMILES:
CC(C)(C)C(=O)NCc1ccc(F)c(Nc2nc3cc(F)c(cc3[nH]2)C(=O)Nc2ccc(F)c(Cl)c2)c1F
Structure:
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