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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Squalene synthase | ||
| Ligand | BDBM50052347 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_202113 (CHEMBL808971) | ||
| IC50 | >2500±n/a nM | ||
| Citation |  Brown, GR; Clarke, DS; Foubister, AJ; Freeman, S; Harrison, PJ; Johnson, MC; Mallion, KB; McCormick, J; McTaggart, F; Reid, AC; Smith, GJ; Taylor, MJ Synthesis and activity of a novel series of 3-biarylquinuclidine squalene synthase inhibitors. J Med Chem39:2971-9 (1996) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Squalene synthase | |||
| Name: | Squalene synthase | ||
| Synonyms: | FDFT_RAT | FPP:FPP farnesyltransferase | Farnesyl-diphosphate farnesyltransferase | Fdft1 | SQS | SS | Squalene synthetase | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 48109.41 | ||
| Organism: | Rattus norvegicus | ||
| Description: | ChEMBL_1336736 | ||
| Residue: | 416 | ||
| Sequence: |
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| BDBM50052347 | |||
| n/a | |||
| Name | BDBM50052347 | ||
| Synonyms: | 3-(Biphenyl-4-sulfinylmethyl)-1-aza-bicyclo[2.2.2]octan-3-ol | CHEMBL101283 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H23NO2S | ||
| Mol. Mass. | 341.467 | ||
| SMILES | OC1(CS(=O)c2ccc(cc2)-c2ccccc2)CN2CCC1CC2 |THB:2:1:22.23:20.19,0:1:22.23:20.19,(12.09,-7.87,;11.74,-9.65,;13.28,-9.65,;14.12,-10.94,;13.23,-12.58,;15.68,-10.84,;16.49,-12.13,;18.05,-12.06,;18.73,-10.66,;17.89,-9.37,;16.35,-9.47,;20.26,-10.58,;20.96,-9.19,;22.5,-9.09,;23.36,-10.38,;22.66,-11.78,;21.12,-11.87,;12.05,-11.15,;10.56,-10.47,;8.88,-11.18,;8.67,-9.68,;10.28,-8.99,;10.28,-7.13,;10.84,-8.41,)| | ||
| Structure | 
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