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Target
Prostaglandin E synthase
Ligand
BDBM31127
Substrate
n/a
Meas. Tech.
ChEMBL_1510157 (CHEMBL3606528)
IC50
200±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:
BDBM31127
Synonyms:
5-hydroxy-1H-benzo[g]indole-3-carboxylate, 11f
Type:
Small organic molecule
Emp. Form.:
C22H18BrNO3
Mol. Mass.:
424.287
SMILES:
CCOC(=O)c1c(Cc2cccc(Br)c2)[nH]c2c1cc(O)c1ccccc21
Structure:
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