Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM286049
Substrate
n/a
Meas. Tech.
mPGES1 enzyme assay
IC50
7.75±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:
BDBM286049
Synonyms:
2-Chloro-N-(2-(4-fluorophenyl)-1-methyl-1H-indol-5-yl)-5-(((1-(trifluoromethyl)cyclopropanecarbonyl)amino)methyl)benzamide | US10081629, Example 34
Type:
Small organic molecule
Emp. Form.:
C28H22ClF4N3O2
Mol. Mass.:
543.94
SMILES:
Cn1c(cc2cc(NC(=O)c3cc(CNC(=O)C4(CC4)C(F)(F)F)ccc3Cl)ccc12)-c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: