Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50099409
Substrate
n/a
Meas. Tech.
ChEMBL_1440626 (CHEMBL3389825)
IC50
328±n/a nM
Citation
 Banerjee, A; Pawar, MY; Patil, S; Yadav, PS; Kadam, PA; Kattige, VG; Deshpande, DS; Pednekar, PV; Pisat, MK; Gharat, LA Development of 2-aryl substituted quinazolin-4(3H)-one, pyrido[4,3-d]pyrimidin-4(3H)-one and pyrido[2,3-d]pyrimidin-4(3H)-one derivatives as microsomal prostaglandin E(2) synthase-1 inhibitors. Bioorg Med Chem Lett 24:4838-44 (2014) [PubMed]  Article 
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:
BDBM50099409
Synonyms:
CHEMBL3342850
Type:
Small organic molecule
Emp. Form.:
C25H20ClF3N4O2
Mol. Mass.:
500.9
SMILES:
CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2nc(ccc2c(=O)[nH]1)-c1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: