Reaction Details |
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Target | Prostaglandin G/H synthase 2 |
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Ligand | BDBM50317924 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_630411 (CHEMBL1113782) |
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IC50 | 0.9±n/a nM |
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Citation | Singh, P; Bhardwaj, A Mono-, di-, and triaryl substituted tetrahydropyrans as cyclooxygenase-2 and tumor growth inhibitors. Synthesis and biological evaluation. J Med Chem53:3707-17 (2010) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Prostaglandin G/H synthase 2 |
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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: | MLARALLLCAAVVCGAANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCTTPEFLT
RIKLLLKPTPDTVHYILTHFKGVWNIVNKISFLRNMIMRYVLTSRSHLIESPPTYNVHYS
YKSWEAFSNLSYYTRALPPVPDDCPTPMGVKGRKELPDSKEVVKKVLLRRKFIPDPQGTN
LMFAFFAQHFTHQFFKTDIERGPAFTKGKNHGVDLSHVYGESLERQHNRRLFKDGKMKYQ
MINGEMYPPTVKDTQVEMIYPPHIPEHLKFAVGQEVFGLVPGLMMYATIWLREHNRVCDV
LKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNQQFQYQN
RIAAEFNTLYHWHPLLPDVFQIDGQEYNYQQFIYNNSVLLEHGVTQFVESFTRQIAGRVA
GRRNLPAAVEKVSKASLDQSREMKYQSFNEYRKRFLLKPYESFEELTGEKEMAAELEALY
GDIDAMELYPALLVEKPAPDAIFGETMVEAGAPFSLKGLMGNPICSPEYWKPSTFGGEVG
FKIINTASIQSLICSNVKGCPFTSFSVQDAHLTKTVTINASSSHSGLDDINPTVLLKERS
TEL
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BDBM50317924 |
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n/a |
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Name | BDBM50317924 |
Synonyms: | (2R*,4R*,6S*)-2-(4-Chlorophenyl)tetrahydro-4-phenyl-6-(thiocyanatomethyl)-2H-pyran-4-ol | CHEMBL1095083 |
Type | Small organic molecule |
Emp. Form. | C19H18ClNO2S |
Mol. Mass. | 359.87 |
SMILES | O[C@]1(C[C@@H](CSC#N)O[C@H](C1)c1ccc(Cl)cc1)c1ccccc1 |r| |
Structure |
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