Reaction Details | |||
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Target | Squalene synthase | ||
Ligand | BDBM50075719 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEBML_202267 | ||
Ki | 6±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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BDBM50075719 | |||
n/a | |||
Name | BDBM50075719 | ||
Synonyms: | 3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-ylethynyl)-phenyl]-propionic acid ethyl ester | CHEMBL24362 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H29NO3 | ||
Mol. Mass. | 367.4813 | ||
SMILES | CCOC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1 |THB:12:13:18.17:20.21,14:13:18.17:20.21,(10.63,-1.41,;9.54,-2.5,;9.94,-3.98,;8.86,-5.08,;9.25,-6.57,;7.36,-4.68,;6.27,-5.77,;4.78,-5.38,;4.38,-3.89,;2.9,-3.49,;1.81,-4.59,;.33,-4.19,;-1.17,-3.79,;-2.66,-3.4,;-2.26,-1.9,;-3.89,-4.07,;-4.88,-2.49,;-6.75,-2.53,;-5.51,-1.8,;-3.62,-1.88,;-3.15,-.9,;-4.25,-1.27,;2.22,-6.06,;1.13,-7.15,;-.37,-6.75,;-1.45,-7.84,;3.7,-6.46,)| | ||
Structure |