Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50386747
Substrate
n/a
Meas. Tech.
ChEMBL_1510157 (CHEMBL3606528)
IC50
180±n/a nM
Citation
 Noha, SM; Fischer, K; Koeberle, A; Garscha, U; Werz, O; Schuster, D Discovery of novel, non-acidic mPGES-1 inhibitors by virtual screening with a multistep protocol. Bioorg Med Chem 23:4839-45 (2015) [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:
BDBM50386747
Synonyms:
CHEMBL2049148
Type:
Small organic molecule
Emp. Form.:
C31H25Cl2N3O2
Mol. Mass.:
542.455
SMILES:
CCCc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccc(cc1)-c1ccc(Cl)cc1
Structure:
Search PDB for entries with ligand similarity: