Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50402855
Substrate
n/a
Meas. Tech.
ChEMBL_885118 (CHEMBL2212752)
IC50
900±n/a nM
Citation
 Park, SJ; Han, SG; Ahsan, HM; Lee, K; Lee, JY; Shin, JS; Lee, KT; Kang, NS; Yu, YG Identification of novel mPGES-1 inhibitors through screening of a chemical library. Bioorg Med Chem Lett 22:7335-9 (2012) [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:
BDBM50402855
Synonyms:
CHEMBL2204881
Type:
Small organic molecule
Emp. Form.:
C15H14N6O6
Mol. Mass.:
374.3083
SMILES:
CN(NC(=O)Nc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc(cc1)[N+]([O-])=O
Structure:
Search PDB for entries with ligand similarity: