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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prostaglandin G/H synthase 2 | ||
| Ligand | BDBM50094546 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_157848 (CHEMBL768586) | ||
| IC50 | 1.6±n/a nM | ||
| Citation |  Portevin, B; Tordjman, C; Pastoureau, P; Bonnet, J; De Nanteuil G, na 1,3-Diaryl-4,5,6,7-tetrahydro-2H-isoindole derivatives: a new series of potent and selective COX-2 inhibitors in which a sulfonyl group is not a structural requisite. J Med Chem43:4582-93 (2001) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Prostaglandin G/H synthase 2 | |||
| Name: | Prostaglandin G/H synthase 2 | ||
| Synonyms: | Cox-2 | Cox2 | Cyclooxygenase-2 | Cyclooxygenase-2 (COX-2) | Glucocorticoid-regulated inflammatory cyclooxygenase | Gripghs | Macrophage activation-associated marker protein P71/73 | PES-2 | PGH synthase 2 | PGH2_MOUSE | PGHS-2 | PHS II | Pghs-b | Prostaglandin G/H synthase (cyclooxygenase) | Prostaglandin H2 synthase 2 | Prostaglandin-endoperoxide synthase 2 | Ptgs2 | TIS10 protein | Tis10 | ||
| Type: | Protein | ||
| Mol. Mass.: | 69020.39 | ||
| Organism: | Mus musculus (Mouse) | ||
| Description: | Q05769 | ||
| Residue: | 604 | ||
| Sequence: |
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| BDBM50094546 | |||
| n/a | |||
| Name | BDBM50094546 | ||
| Synonyms: | 3,5-Diphenyl-4-aza-tricyclo[5.2.2.0*2,6*]undeca-2,5-diene | CHEMBL343701 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H21N | ||
| Mol. Mass. | 299.4088 | ||
| SMILES | C1CC2CCC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1 |(14.74,-30.53,;13.2,-30.52,;12.42,-31.84,;13.75,-31.06,;14.15,-32.63,;15.49,-31.87,;14.71,-33.19,;15.19,-34.65,;13.94,-35.55,;12.69,-34.64,;13.18,-33.17,;11.23,-35.11,;10.08,-34.06,;8.61,-34.53,;8.28,-36.04,;9.44,-37.08,;10.9,-36.61,;16.65,-35.13,;16.96,-36.64,;18.43,-37.13,;19.58,-36.1,;19.26,-34.58,;17.8,-34.11,)| | ||
| Structure | 
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