Reaction Details | |||
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Target | Squalene synthase | ||
Ligand | BDBM50291314 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_202267 | ||
Ki | >250±n/a nM | ||
Citation | Brown, GR; Foubister, AJ; Freeman, S; McTaggart, F; Mirrlees, DJ; Reid, AC; Smith, GJ; Taylor, MJ; Thomason, DA; Whittamore, PR Novel optimised quinuclidine squalene synthase inhibitors Bioorg Med Chem Lett7:597-600 (1997) 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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BDBM50291314 | |||
n/a | |||
Name | BDBM50291314 | ||
Synonyms: | 3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-ylethynyl)-phenyl]-propionamide | CHEMBL156006 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H26N2O2 | ||
Mol. Mass. | 338.4433 | ||
SMILES | NC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:10:11:16.15:18.19,12:11:16.15:18.19,(18.09,-2.89,;16.75,-2.12,;16.75,-.58,;15.43,-2.9,;14.09,-2.13,;12.76,-2.91,;12.76,-4.45,;11.44,-5.23,;10.11,-4.45,;8.77,-5.24,;7.45,-6.01,;6.19,-6.88,;7.66,-7.28,;6.4,-8.41,;4.96,-7.64,;3.26,-8.24,;3.14,-6.74,;4.77,-6.15,;4.96,-4.38,;5.36,-5.61,;10.09,-2.93,;8.76,-2.17,;7.43,-2.94,;6.1,-2.18,;11.43,-2.15,)| | ||
Structure |