| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 2 |
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| Ligand | BDBM50136107 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_159732 (CHEMBL766189) |
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| IC50 | 1000±n/a nM |
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| Citation |  Khanapure, SP; Garvey, DS; Young, DV; Ezawa, M; Earl, RA; Gaston, RD; Fang, X; Murty, M; Martino, A; Shumway, M; Trocha, M; Marek, P; Tam, SW; Janero, DR; Letts, LG Synthesis and structure-activity relationship of novel, highly potent metharyl and methcycloalkyl cyclooxygenase-2 (COX-2) selective inhibitors. J Med Chem46:5484-504 (2003) [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 |
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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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| BDBM50136107 |
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| n/a |
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| Name | BDBM50136107 |
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| Synonyms: | (3-Fluoro-phenyl)-[6-(4-methanesulfonyl-phenyl)-benzo[1,3]dioxol-5-yl]-methanone | CHEMBL153767 |
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| Type | Small organic molecule |
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| Emp. Form. | C21H15FO5S |
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| Mol. Mass. | 398.404 |
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| SMILES | CS(=O)(=O)c1ccc(cc1)-c1cc2OCOc2cc1C(=O)c1cccc(F)c1 |
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| Structure | 
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