Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM118819
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
1±n/a nM
Comments
extracted
Citation
 Priepke, H; Doods, H; Heim-Riether, A; Kuelzer, R; Pfau, R; Rudolf, K; Stenkamp, D Compounds US Patent  US8674113 Publication Date 3/18/2014 
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:
BDBM118819
Synonyms:
US8674113, 76
Type:
Small organic molecule
Emp. Form.:
C31H32Cl2F10N6O2
Mol. Mass.:
781.515
SMILES:
CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(=O)NCC(F)(F)C(F)(F)F)c(cc3n2CC(F)F)N2CCC(CC2)C(F)(F)F)c1Cl
Structure:
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