Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM286065
Substrate
n/a
Meas. Tech.
mPGES1 enzyme assay
IC50
58.5±n/a nM
Citation
 Li, X; He, W; Liu, X; Wang, B; Hu, Q; Jin, F; Dong, Q; Sun, P Amide derivatives and pharmaceutically acceptable salts thereof, preparation method thereof and medicinal application thereof US Patent  US10081629 Publication Date 9/25/2018 
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:
BDBM286065
Synonyms:
2-(Difluoromethyl)-5-((2-methylpropanoylamino)methyl)-N-(2-(4-(trifluoromethyl)phenyl)benzo[d]thiazol-6-yl)nicotinamide | US10081629, Example 54
Type:
Small organic molecule
Emp. Form.:
C26H21F5N4O2S
Mol. Mass.:
548.528
SMILES:
CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1ccc2nc(sc2c1)-c1ccc(cc1)C(F)(F)F
Structure:
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