Reaction Details Report a problem with these data
Target
Prostaglandin E synthase
Ligand
BDBM50452078
Substrate
n/a
Meas. Tech.
ChEMBL_1746780 (CHEMBL4181290)
IC50
3.5±n/a nM
Citation
 Muthukaman, N; Tambe, M; Deshmukh, S; Pisal, D; Tondlekar, S; Shaikh, M; Sarode, N; Kattige, VG; Pisat, M; Sawant, P; Honnegowda, S; Karande, V; Kulkarni, A; Behera, D; Jadhav, SB; Sangana, RR; Gudi, GS; Khairatkar-Joshi, N; Gharat, LA Discovery of furan and dihydrofuran-fused tricyclic benzo[d]imidazole derivatives as potent and orally efficacious microsomal prostaglandin E synthase-1 (mPGES-1) inhibitors: Part-1. Bioorg Med Chem Lett 27:5131-5138 (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:
BDBM50452078
Synonyms:
CHEMBL4203842
Type:
Small organic molecule
Emp. Form.:
C24H19Cl2FN4O2
Mol. Mass.:
485.338
SMILES:
CC1(C)Cc2c(O1)c(cc1nc(Nc3c(Cl)cccc3Cl)[nH]c21)C(=O)Nc1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: