Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50028856
Substrate
n/a
Meas. Tech.
Inhibition Assay
Ki
0.1±n/a nM
IC50
0.1±n/a nM
Citation
 Otsu, H Heterocyclic derivative and pharmaceutical drug US Patent  US9216968 Publication Date 12/22/2015 
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:
BDBM50028856
Synonyms:
CHEMBL3342696 | US9216968, 113 | US9732066, 113
Type:
Small organic molecule
Emp. Form.:
C25H19Cl2F3N4O3
Mol. Mass.:
551.345
SMILES:
COCc1nc2c(cc(NC(=O)c3c(Cl)cccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
Structure:
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