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Target
Prostaglandin E synthase
Ligand
BDBM50233280
Substrate
n/a
Meas. Tech.
ChEMBL_1650403 (CHEMBL3999537)
IC50
34±n/a nM
Citation
 Partridge, KM; Antonysamy, S; Bhattachar, SN; Chandrasekhar, S; Fisher, MJ; Fretland, A; Gooding, K; Harvey, A; Hughes, NE; Kuklish, SL; Luz, JG; Manninen, PR; McGee, JE; Mudra, DR; Navarro, A; Norman, BH; Quimby, SJ; Schiffler, MA; Sloan, AV; Warshawsky, AM; Weller, JM; York, JS; Yu, XP Discovery and characterization of [(cyclopentyl)ethyl]benzoic acid inhibitors of microsomal prostaglandin E synthase-1. Bioorg Med Chem Lett 27:1478-1483 (2017) [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:
BDBM50233280
Synonyms:
CHEMBL4063350
Type:
Small organic molecule
Emp. Form.:
C26H30F3N3O3
Mol. Mass.:
489.5299
SMILES:
OC(=O)c1ccccc1CC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(CC1)c1ccc(cn1)C(F)(F)F |r|
Structure:
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