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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-secretase 1 [1-454] | ||
| Ligand | BDBM259487 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Fluorescence Quench Assay | ||
| pH | 4.4±n/a | ||
| IC50 | 415±n/a nM | ||
| Comments | extracted | ||
| Citation |  Bukhtiyarov, Y; Cacatian, S; Dillard, LW; Dorner-Ciossek, C; Fuchs, K; Jia, L; Lala, DS; Morales-Ramos, A; Reeves, J; Singh, SB; Venkatraman, S; Xu, Z; Yuan, J; Zhao, Y; Zheng, Y; Rast, G Inhibitors of beta-secretase US Patent US9526727 Publication Date 12/27/2016 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Beta-secretase 1 [1-454] | |||
| Name: | Beta-secretase 1 [1-454] | ||
| Synonyms: | BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE1) | KIAA1149 | ||
| Type: | Protein | ||
| Mol. Mass.: | 50294.92 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Human BACE1 truncation (1-454 aa) | ||
| Residue: | 454 | ||
| Sequence: |
| ||
| BDBM259487 | |||
| n/a | |||
| Name | BDBM259487 | ||
| Synonyms: | US9526727, Comparison Example Table 2, (1r,1'R,4R)-2''-amino-6'-(2-cyclopropylethyl)-4-methoxy-1''-[(2S)-oxetan-2-ylmethyl]-1'',5''-dihydro-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-imidazole]-5''-one | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H35N3O3 | ||
| Mol. Mass. | 437.5744 | ||
| SMILES | CO[C@H]1CC[C@@]2(Cc3ccc(CCC4CC4)cc3[C@]22N=C(N)N(C[C@@H]3CCO3)C2=O)CC1 |r,wU:24.26,wD:5.5,18.21,2.1,t:22,(7.05,-5.07,;7.05,-3.53,;5.71,-2.76,;5.71,-1.22,;4.38,-.45,;3.05,-1.22,;2.14,-2.46,;.68,-1.99,;-.66,-2.76,;-1.99,-1.99,;-1.99,-.45,;-3.32,.32,;-4.66,-.45,;-5.99,.32,;-7.33,1.09,;-7.33,-.45,;-.66,.32,;.68,-.45,;2.14,.03,;.9,.93,;1.37,2.4,;.6,3.73,;2.91,2.4,;3.68,3.73,;5.22,3.73,;6.56,2.96,;7.33,4.3,;5.99,5.07,;3.39,.93,;4.87,.54,;3.05,-2.76,;4.38,-3.53,)| | ||
| Structure | 
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