Reaction Details | |||
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Target | Prostaglandin G/H synthase 1 | ||
Ligand | BDBM50094546 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_159260 (CHEMBL764087) | ||
IC50 | 250±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-1 | PGH synthase 1 | PGH1_MOUSE | PGHS-1 | PHS 1 | Prostaglandin G/H synthase (cyclooxygenase) | Prostaglandin H2 synthase 1 | Prostaglandin-endoperoxide synthase 1 | Ptgs1 | ||
Type: | PROTEIN | ||
Mol. Mass.: | 69044.61 | ||
Organism: | Mus musculus | ||
Description: | ChEMBL_10575 | ||
Residue: | 602 | ||
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 |