| Reaction Details |
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 | Report a problem with these data |
| Target | Prostaglandin G/H synthase 2 |
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| Ligand | BDBM50336007 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_717095 (CHEMBL1671271) |
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| IC50 | 40100±n/a nM |
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| Citation |  Xing, L; Hamper, BC; Fletcher, TR; Wendling, JM; Carter, J; Gierse, JK; Liao, S Structure-based parallel medicinal chemistry approach to improve metabolic stability of benzopyran COX-2 inhibitors. Bioorg Med Chem Lett21:993-6 (2011) [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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| BDBM50336007 |
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| n/a |
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| Name | BDBM50336007 |
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| Synonyms: | 6-chloro-8-(4-(methylsulfonamido)phenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylic acid | CHEMBL1669028 |
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| Type | Small organic molecule |
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| Emp. Form. | C18H13ClF3NO5S |
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| Mol. Mass. | 447.813 |
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| SMILES | CS(=O)(=O)Nc1ccc(cc1)-c1cc(Cl)cc2C=C(C(Oc12)C(F)(F)F)C(O)=O |c:18| |
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| Structure | 
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