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Target
Prostaglandin E synthase
Ligand
BDBM50397225
Substrate
n/a
Meas. Tech.
ChEMBL_864584 (CHEMBL2176564)
IC50
350±n/a nM
Citation
 Elkady, M; Nieß, R; Schaible, AM; Bauer, J; Luderer, S; Ambrosi, G; Werz, O; Laufer, SA Modified acidic nonsteroidal anti-inflammatory drugs as dual inhibitors of mPGES-1 and 5-LOX. J Med Chem 55:8958-62 (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:
BDBM50397225
Synonyms:
CHEMBL2172778
Type:
Small organic molecule
Emp. Form.:
C31H21Cl2N3O3S
Mol. Mass.:
586.488
SMILES:
Clc1ccc(cc1)C#Cc1ccc(cc1)-c1nn(cc1CC(=O)NS(=O)(=O)c1ccc(Cl)cc1)-c1ccccc1
Structure:
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