Reaction Details Report a problem with these data
Target
Prostaglandin E synthase 2
Ligand
BDBM50168770
Substrate
n/a
Meas. Tech.
ChEMBL_305014 (CHEMBL829449)
IC50
8±n/a nM
Citation
 Riendeau, D; Aspiotis, R; Ethier, D; Gareau, Y; Grimm, EL; Guay, J; Guiral, S; Juteau, H; Mancini, JA; Méthot, N; Rubin, J; Friesen, RW Inhibitors of the inducible microsomal prostaglandin E2 synthase (mPGES-1) derived from MK-886. Bioorg Med Chem Lett 15:3352-5 (2005) [PubMed]  Article 
Target
Name:
Prostaglandin E synthase 2
Synonyms:
C9orf15 | PGES2 | PGES2_HUMAN | PTGES2
Type:
Enzyme
Mol. Mass.:
41955.21
Organism:
Homo sapiens (Human)
Description:
Q9H7Z7
Residue:
377
Sequence:
MDPAARVVRALWPGGCALAWRLGGRPQPLLPTQSRAGFAGAAGGPSPVAAARKGSPRLLGAAALALGGALGLYHTARWHLRAQDLHAERSAAQLSLSSRLQLTLYQYKTCPFCSKVRAFLDFHALPYQVVEVNPVRRAEIKFSSYRKVPILVAQEGESSQQLNDSSVIISALKTYLVSGQPLEEIITYYPAMKAVNEQGKEVTEFGNKYWLMLNEKEAQQVYGGKEARTEEMKWRQWADDWLVHLISPNVYRTPTEALASFDYIVREGKFGAVEGAVAKYMGAAAMYLISKRLKSRHRLQDNVREDLYEAADKWVAAVGKDRPFMGGQKPNLADLAVYGVLRVMEGLDAFDDLMQHTHIQPWYLRVERAITEASPAH
  
Inhibitor
Name:
BDBM50168770
Synonyms:
3-(1-(4-chlorobenzyl)-5-(2,2'-difluorobiphenyl-4-yl)-3-methyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid | 3-[1-(4-Chloro-benzyl)-5-(2,2'-difluoro-biphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid | CHEMBL362836
Type:
Small organic molecule
Emp. Form.:
C33H28ClF2NO2
Mol. Mass.:
544.031
SMILES:
Cc1c(CC(C)(C)C(O)=O)n(Cc2ccc(Cl)cc2)c2ccc(cc12)-c1ccc(c(F)c1)-c1ccccc1F
Structure:
Search PDB for entries with ligand similarity: