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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-secretase 1 [1-460] | ||
| Ligand | BDBM307707 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | TR-FRET Assay | ||
| IC50 | 37.0±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: |
| ||
| BDBM307707 | |||
| n/a | |||
| Name | BDBM307707 | ||
| Synonyms: | 4''-fluoro-6'-(3-fluoropropoxy)-4-[(2H3)methyloxy]-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-pyrrol]-5''-amine | US9650336, Example 10 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H26F2N2O2 | ||
| Mol. Mass. | 376.4401 | ||
| SMILES | COC1CC[C@]2(Cc3ccc(OCCCF)cc3C22C=C(F)C(N)=N2)CC1 |r,wD:5.5,c:25,t:21,(7.88,-2.47,;7.11,-1.14,;5.57,-1.14,;4.8,-2.47,;3.26,-2.47,;2.49,-1.14,;1.59,-2.39,;.12,-1.91,;-1.21,-2.68,;-2.55,-1.91,;-2.55,-.37,;-3.88,.4,;-5.21,-.37,;-6.55,.4,;-7.88,-.37,;-9.21,.4,;-1.21,.4,;.12,-.37,;1.59,.1,;2.83,1.01,;2.36,2.47,;3.13,3.81,;.82,2.47,;.05,3.81,;.34,1.01,;3.26,.19,;4.8,.19,)| | ||
| Structure | 
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