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Target
Prostaglandin E synthase
Ligand
BDBM50302429
Substrate
n/a
Meas. Tech.
ChEMBL_1510157 (CHEMBL3606528)
IC50
0.400000±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:
BDBM50302429
Synonyms:
2-(9-(2-hydroxy-2-methylpropyl)-6-(isopentyloxy)-1H-phenanthro[9,10-d]imidazol-2-yl)isophthalonitrile | CHEMBL567696
Type:
Small organic molecule
Emp. Form.:
C32H30N4O2
Mol. Mass.:
502.6062
SMILES:
CC(C)CCOc1ccc2c3[nH]c(nc3c3ccc(CC(C)(C)O)cc3c2c1)-c1c(cccc1C#N)C#N
Structure:
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