Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50028854
Substrate
n/a
Meas. Tech.
ChEMBL_1552429 (CHEMBL3761680)
IC50
139±n/a nM
Citation
 Schiffler, MA; Antonysamy, S; Bhattachar, SN; Campanale, KM; Chandrasekhar, S; Condon, B; Desai, PV; Fisher, MJ; Groshong, C; Harvey, A; Hickey, MJ; Hughes, NE; Jones, SA; Kim, EJ; Kuklish, SL; Luz, JG; Norman, BH; Rathmell, RE; Rizzo, JR; Seng, TW; Thibodeaux, SJ; Woods, TA; York, JS; Yu, XP Discovery and Characterization of 2-Acylaminoimidazole Microsomal Prostaglandin E Synthase-1 Inhibitors. J Med Chem 59:194-205 (2016) [PubMed]  Article 
Target
Name:
Prostaglandin E synthase
Synonyms:
MPGES-1 | Microsomal prostaglandin E synthase 1 | PGES | PTGES | PTGES_CANLF | Prostaglandin E synthase
Type:
PROTEIN
Mol. Mass.:
17136.74
Organism:
Canis familiaris
Description:
ChEMBL_109495
Residue:
153
Sequence:
MPPPVLALVSGQALPAFLLCSTLLVIKMYVVAVITGQVRLRKKAFANPEDALRHGGLQYCRSDQDVDRCLRAHRNDMETIYPFLFLGFVYSFLGPDPFIAQMHFLVFFLGRMVHTVAYLGKLRAPTRSLAYTVAQLPCASMALQIVWEAACHL
  
Inhibitor
Name:
BDBM50028854
Synonyms:
CHEMBL3342693
Type:
Small organic molecule
Emp. Form.:
C23H22F5N5O2
Mol. Mass.:
495.4451
SMILES:
CC(C)C(=O)NCc1cnc(C(F)F)c(c1)C(=O)Nc1nc(C)c([nH]1)-c1ccc(cc1)C(F)(F)F
Structure:
Search PDB for entries with ligand similarity: