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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Prostaglandin G/H synthase 1 | ||
| Ligand | BDBM50094551 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_158935 (CHEMBL767823) | ||
| IC50 | 30±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 1 | |||
| Name: | Prostaglandin G/H synthase 1 | ||
| Synonyms: | COX-1 | COX1 | Cyclooxygenase | Cyclooxygenase-1 | Cyclooxygenase-1 (COX-1) | PGH1_HUMAN | PTGS1 | Prostaglandin G/H synthase (cyclooxygenase) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 68692.62 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P23219 | ||
| Residue: | 599 | ||
| Sequence: |
| ||
| BDBM50094551 | |||
| n/a | |||
| Name | BDBM50094551 | ||
| Synonyms: | 3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.2.0*2,6*]undeca-2,5-diene | CHEMBL140167 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H19F2N | ||
| Mol. Mass. | 335.3898 | ||
| SMILES | Fc1ccc(cc1)-c1[nH]c(c2C3CCC(CC3)c12)-c1ccc(F)cc1 |(21.01,-36.41,;22.48,-35.94,;22.8,-34.43,;24.27,-33.96,;25.41,-35,;25.09,-36.5,;23.63,-36.98,;26.88,-34.53,;28.12,-35.45,;29.38,-34.55,;28.9,-33.08,;29.67,-31.77,;28.93,-30.43,;27.39,-30.42,;26.61,-31.74,;27.93,-30.96,;28.33,-32.53,;27.36,-33.07,;30.84,-35.03,;31.15,-36.54,;32.61,-37.02,;33.76,-36,;35.23,-36.48,;33.44,-34.48,;31.98,-34,)| | ||
| Structure | 
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