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Target
Prostaglandin E synthase
Ligand
BDBM50512726
Substrate
n/a
Meas. Tech.
ChEMBL_1849815 (CHEMBL4350356)
IC50
84±n/a nM
Citation
 Koppitz, M; Bräuer, N; Ter Laak, A; Irlbacher, H; Rotgeri, A; Coelho, AM; Walter, D; Steinmeyer, A; Zollner, TM; Peters, M; Nagel, J Discovery and optimization of pyridyl-cycloalkyl-carboxylic acids as inhibitors of microsomal prostaglandin E synthase-1 for the treatment of endometriosis. Bioorg Med Chem Lett 29:2700-2705 (2019) [PubMed]  Article 
Target
Name:
Prostaglandin E synthase
Synonyms:
5.3.99.3 | Microsomal prostaglandin E synthase 1 | PTGES_MOUSE | Pges | Prostaglandin E synthase | Ptges | mPGES-1
Type:
PROTEIN
Mol. Mass.:
17293.88
Organism:
Mus musculus
Description:
ChEMBL_104562
Residue:
153
Sequence:
MPSPGLVMESGQVLPAFLLCSTLLVIKMYAVAVITGQMRLRKKAFANPEDALKRGGLQYYRSDPDVERCLRAHRNDMETIYPFLFLGFVYSFLGPNPLIAWIHFLVVLTGRVVHTVAYLGKLNPRLRSGAYVLAQFSCFSMALQILWEVAHHL
  
Inhibitor
Name:
BDBM50512726
Synonyms:
CHEMBL4459950
Type:
Small organic molecule
Emp. Form.:
C34H42N2O3
Mol. Mass.:
526.7089
SMILES:
CC[C@@H](CC(O)=O)c1cccc(NC(=O)C(C2CCCC2)c2ccc(cc2)-c2cncc(CC(C)C)c2)c1C |r|
Structure:
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