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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-secretase 1 [1-460] | ||
| Ligand | BDBM136861 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | FRET Assay | ||
| IC50 | 1.50±n/a nM | ||
| Citation |  Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S Compounds and their use as BACE inhibitors US Patent US9918985 Publication Date 3/20/2018 | ||
| 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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| BDBM136861 | |||
| n/a | |||
| Name | BDBM136861 | ||
| Synonyms: | US10231967, Example 98 | US8865911, 98 | US9918985, Example 98 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H28FN3O2 | ||
| Mol. Mass. | 421.5071 | ||
| SMILES | CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)ccc2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-5.88,1.38,;-4.55,2.15,;-3.21,1.38,;-1.88,2.15,;3.93,-3.04,;5.47,-3.04,)| | ||
| Structure | 
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