Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50313224
Substrate
n/a
Meas. Tech.
ChEMBL_616831 (CHEMBL1100215)
IC50
62±n/a nM
Citation
 Wang, J; Limburg, D; Carter, J; Mbalaviele, G; Gierse, J; Vazquez, M Selective inducible microsomal prostaglandin E(2) synthase-1 (mPGES-1) inhibitors derived from an oxicam template. Bioorg Med Chem Lett 20:1604-9 (2010) [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:
BDBM50313224
Synonyms:
5-(4-tert-butylphenyl)-1-(4-isopropoxyphenyl)-1H-indole-2-carboxylic acid | CHEMBL1076694
Type:
Small organic molecule
Emp. Form.:
C28H29NO3
Mol. Mass.:
427.5348
SMILES:
CC(C)Oc1ccc(cc1)-n1c(cc2cc(ccc12)-c1ccc(cc1)C(C)(C)C)C(O)=O
Structure:
Search PDB for entries with ligand similarity: