Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM451418
Substrate
n/a
Meas. Tech.
Inhibitory Activity Assay
IC50
0.180±n/a nM
Citation
 Okada, M; Nakano, Y; Nose, T; Nishimoto, T; Maeda, S Pyrimidine derivative US Patent  US10710967 Publication Date 7/14/2020 
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:
BDBM451418
Synonyms:
US10710967, Example 12
Type:
Small organic molecule
Emp. Form.:
C21H18ClF3N4O2
Mol. Mass.:
450.841
SMILES:
CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc(cc(=O)[nH]1)-c1ccc(cn1)C(F)(F)F
Structure:
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