Reaction Details |
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Target | Prostaglandin G/H synthase 2 |
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Ligand | BDBM17638 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_159756 (CHEMBL763082) |
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IC50 | 30±n/a nM |
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Citation | Prasit, P; Wang, Z; Brideau, C; Chan, CC; Charleson, S; Cromlish, W; Ethier, D; Evans, JF; Ford-Hutchinson, AW; Gauthier, JY; Gordon, R; Guay, J; Gresser, M; Kargman, S; Kennedy, B; Leblanc, Y; Léger, S; Mancini, J; O'Neill, GP; Ouellet, M; Percival, MD; Perrier, H; Riendeau, D; Rodger, I; Zamboni, R The discovery of rofecoxib, [MK 966, Vioxx, 4-(4'-methylsulfonylphenyl)-3-phenyl-2(5H)-furanone], an orally active cyclooxygenase-2-inhibitor. Bioorg Med Chem Lett9:1773-8 (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 |
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 |
Type: | Enzyme |
Mol. Mass.: | 69003.89 |
Organism: | Homo sapiens (Human) |
Description: | Recombinant Cox-2 provided by Cayman (Cayman Chemical Co.,Ann Arbor, MI). |
Residue: | 604 |
Sequence: | MLARALLLCAVLALSHTANPCCSHPCQNRGVCMSVGFDQYKCDCTRTGFYGENCSTPEFL
TRIKLFLKPTPNTVHYILTHFKGFWNVVNNIPFLRNAIMSYVLTSRSHLIDSPPTYNADY
GYKSWEAFSNLSYYTRALPPVPDDCPTPLGVKGKKQLPDSNEIVEKLLLRRKFIPDPQGS
NMMFAFFAQHFTHQFFKTDHKRGPAFTNGLGHGVDLNHIYGETLARQRKLRLFKDGKMKY
QIIDGEMYPPTVKDTQAEMIYPPQVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCD
VLKQEHPEWGDEQLFQTSRLILIGETIKIVIEDYVQHLSGYHFKLKFDPELLFNKQFQYQ
NRIAAEFNTLYHWHPLLPDTFQIHDQKYNYQQFIYNNSILLEHGITQFVESFTRQIAGRV
AGGRNVPPAVQKVSQASIDQSRQMKYQSFNEYRKRFMLKPYESFEELTGEKEMSAELEAL
YGDIDAVELYPALLVEKPRPDAIFGETMVEVGAPFSLKGLMGNVICSPAYWKPSTFGGEV
GFQIINTASIQSLICNNVKGCPFTSFSVPDPELIKTVTINASSSRSGLDDINPTVLLKER
STEL
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BDBM17638 |
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n/a |
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Name | BDBM17638 |
Synonyms: | 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid | CHEMBL6 | Indocin | Indomethacin | US11478464, Compound Indomethacin | US11786535, Compound Indomethacin | US9271961, Indomethacin | indometacin |
Type | Small organic molecule |
Emp. Form. | C19H16ClNO4 |
Mol. Mass. | 357.788 |
SMILES | COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 |
Structure |
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