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Target
Prostaglandin G/H synthase 2
Ligand
BDBM50317921
Substrate
n/a
Meas. Tech.
ChEMBL_630411 (CHEMBL1113782)
IC50
2.05±n/a nM
Citation
 Singh, P; Bhardwaj, A Mono-, di-, and triaryl substituted tetrahydropyrans as cyclooxygenase-2 and tumor growth inhibitors. Synthesis and biological evaluation. J Med Chem 53:3707-17 (2010) [PubMed]  Article 
Target
Name:
Prostaglandin G/H synthase 2
Synonyms:
COX2 | Cyclooxygenase-1 (COX-1) | Cyclooxygenase-2 (COX-2) | PGH2_SHEEP | PTGS2 | Prostaglandin G/H synthase (Cyclooxygenase-2) | Prostaglandin G/H synthase (cyclooxygenase)
Type:
Protein
Mol. Mass.:
68976.98
Organism:
Ovis aries (Sheep)
Description:
n/a
Residue:
603
Sequence:
MLARALLLCAAVVCGAANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPDTVHYILTHFKGVWNIVNKISFLRNMIMRYVLTSRSHLIESPPTYNVHYSYKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGRKELPDSKEVVKKVLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTDIERGPAFTKGKNHGVDLSHVYGESLERQHNRRLFKDGKMKYQMINGEMYPPTVKDTQVEMIYPPHIPEHLKFAVGQEVFGLVPGLMMYATIWLREHNRVCDVLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQNRIAAEFNTLYHWHPLLPDVFQIDGQEYNYQQFIYNNSVLLEHGVTQFVESFTRQIAGRVAGRRNLPAAVEKVSKASLDQSREMKYQSFNEYRKRFLLKPYESFEELTGEKEMAAELEALYGDIDAMELYPALLVEKPAPDAIFGETMVEAGAPFSLKGLMGNPICSPEYWKPSTFGGEVGFKIINTASIQSLICSNVKGCPFTSFSVQDAHLTKTVTINASSSHSGLDDINPTVLLKERSTEL
  
Inhibitor
Name:
BDBM50317921
Synonyms:
(2S*,4R*,6R*)-2-((Ethylthio)methyl)-6-(4-fluorophenyl)tetrahydro-4-phenyl-2H-pyran-4-ol | CHEMBL1096037
Type:
Small organic molecule
Emp. Form.:
C20H23FO2S
Mol. Mass.:
346.459
SMILES:
CCSC[C@@H]1C[C@](O)(C[C@@H](O1)c1ccc(F)cc1)c1ccccc1 |r|
Structure:
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