| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 2 |
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| Ligand | BDBM22353 |
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| Substrate/Competitor | BDBM22319 |
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| Meas. Tech. | COX Inhibitor Screening Assay |
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| IC50 | 31500±n/a nM |
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| Citation |  Rao, PN; Chen, QH; Knaus, EE Synthesis and structure-activity relationship studies of 1,3-diarylprop-2-yn-1-ones: dual inhibitors of cyclooxygenases and lipoxygenases. J Med Chem49:1668-83 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Solution Info, 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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| BDBM22353 |
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| BDBM22319 |
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| Name | BDBM22353 |
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| Synonyms: | 1,3-Diarylprop-2-yn-1-one, 13j | 3-(4-methanesulfonylphenyl)-1-(4-methoxyphenyl)prop-2-yn-1-one | CHEMBL371191 |
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| Type | Small organic molecule |
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| Emp. Form. | C17H14O4S |
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| Mol. Mass. | 314.356 |
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| SMILES | COc1ccc(cc1)C(=O)C#Cc1ccc(cc1)S(C)(=O)=O |
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| Structure | 
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