Reaction Details | |||
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Report a problem with these data | |||
Target | Beta-secretase 1 [1-460] | ||
Ligand | BDBM50005022 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | TR-FRET Assay | ||
IC50 | 22.0±n/a nM | ||
Citation | Minidis, A; Rahm, F; Viklund, J Mono-fluoro beta-secretase inhibitors US Patent US9650336 Publication Date 5/16/2017 | ||
More Info.: | Get all data from this article, Assay Method | ||
Beta-secretase 1 [1-460] | |||
Name: | Beta-secretase 1 [1-460] | ||
Synonyms: | BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE1) | Beta-secretase 1 (aa 1-460) | KIAA1149 | ||
Type: | Protein | ||
Mol. Mass.: | 50987.78 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P56817[1-460] | ||
Residue: | 460 | ||
Sequence: |
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BDBM50005022 | |||
n/a | |||
Name | BDBM50005022 | ||
Synonyms: | CHEMBL2408787 | US9650336, Example 1 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H23FN4O | ||
Mol. Mass. | 378.4426 | ||
SMILES | CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22C=C(F)C(N)=N2)-c2cncnc2)CC1 |r,wD:5.5,2.1,c:20,t:16,(18.99,-9.87,;18.23,-8.53,;16.69,-8.52,;15.92,-7.19,;14.39,-7.18,;13.63,-8.51,;12.73,-9.78,;11.24,-9.3,;9.91,-10.07,;8.57,-9.3,;8.58,-7.75,;9.9,-6.98,;11.24,-7.75,;12.72,-7.26,;14.2,-6.86,;14.27,-5.32,;15.56,-4.47,;12.83,-4.77,;12.42,-3.29,;11.87,-5.98,;7.25,-6.98,;7.25,-5.44,;5.92,-4.67,;4.58,-5.44,;4.59,-6.99,;5.92,-7.75,;14.39,-9.84,;15.91,-9.84,)| | ||
Structure |