| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 2 |
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| Ligand | BDBM50078593 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_159767 |
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| IC50 | 800±n/a nM |
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| Citation |  Dubé, D; Brideau, C; Deschênes, D; Fortin, R; Friesen, RW; Gordon, R; Girard, Y; Riendeau, D; Savoie, C; Chan, CC 2-heterosubstituted-3-(4-methylsulfonyl)phenyl-5-trifluoromethyl pyridines as selective and orally active cyclooxygenase-2 inhibitors. Bioorg Med Chem Lett9:1715-20 (1999) [PubMed] |
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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 |
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| Synonyms: | COX2 | Cyclooxygenase | Cyclooxygenase 2 (COX-2) | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2 AA) | Cyclooxygenase-2 (COX-2 AEA) | Cyclooxygenase-2 (COX-2) | PGH synthase 2 | PGH2_HUMAN | PGHS-2 | PHS II | PTGS2 | Prostaglandin E synthase/G/H synthase 2 | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2 |
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| Type: | Enzyme |
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| Mol. Mass.: | 69003.89 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI). |
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| Residue: | 604 |
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| Sequence: | MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADY
GYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKY
QIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQ
NRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRV
AGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEAL
YGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEV
GFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKER
STEL
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| BDBM50078593 |
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| n/a |
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| Name | BDBM50078593 |
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| Synonyms: | CHEMBL49394 | [3'-(4-Methanesulfonyl-phenyl)-5'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-3-yl]-methanol |
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| Type | Small organic molecule |
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| Emp. Form. | C19H21F3N2O3S |
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| Mol. Mass. | 414.442 |
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| SMILES | CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N1CCCC(CO)C1)C(F)(F)F |
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| Structure | 
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