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Target
Prostaglandin E synthase 2
Ligand
BDBM50006805
Substrate
n/a
Meas. Tech.
ChEMBL_305014 (CHEMBL829449)
IC50
1600±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:
BDBM50006805
Synonyms:
3-(1-(4-chlorobenzyl)-3-(tert-butylthio)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid | 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-1H-indol-2-yl)-2,2-dimethylpropanoic acid | 3-[1-(4-chlorobenzyl)-3-t-butyl-thio-5-isopropylindol-2-yl]-2,2-dimethylpropanoic acid | 3-[3-tert-Butylsulfanyl-1-(4-chloro-benzyl)-5-isopropyl-1H-indol-2-yl]-2,2-dimethyl-propionic acid | CHEMBL29097 | MK-886 | MK886 | cid_3651377
Type:
Small organic molecule
Emp. Form.:
C27H34ClNO2S
Mol. Mass.:
472.082
SMILES:
CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(O)=O)c(SC(C)(C)C)c2c1
Structure:
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