Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50393041
Substrate
n/a
Meas. Tech.
ChEMBL_1552422 (CHEMBL3761673)
IC50
885±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:
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:
BDBM50393041
Synonyms:
CHEMBL2152711
Type:
Small organic molecule
Emp. Form.:
C15H17ClN4O2
Mol. Mass.:
320.774
SMILES:
CC(C)C(=O)NCc1ccc(Cl)c(c1)C(=O)Nc1ncc[nH]1
Structure:
Search PDB for entries with ligand similarity: