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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-secretase 1 [1-460] | ||
| Ligand | BDBM136854 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | FRET Assay | ||
| IC50 | 2.20±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: |
| ||
| BDBM136854 | |||
| n/a | |||
| Name | BDBM136854 | ||
| Synonyms: | US10231967, Example 91 | US8865911, 91 | US9918985, Example 91 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H28N4O2 | ||
| Mol. Mass. | 428.5261 | ||
| SMILES | CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(OC)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(7.88,-1.36,;7.11,-2.7,;5.57,-2.7,;4.8,-1.36,;3.26,-1.36,;2.49,-2.7,;1.59,-3.94,;.12,-3.47,;-1.21,-4.23,;-2.55,-3.47,;-2.55,-1.93,;-1.21,-1.16,;.12,-1.93,;1.59,-1.45,;.34,-.54,;.82,.92,;.05,2.25,;2.36,.92,;3.13,2.25,;2.83,-.54,;-3.88,-1.16,;-5.21,-1.93,;-6.55,-1.16,;-7.88,-1.92,;-7.88,-3.46,;-6.55,.38,;-5.21,1.15,;-3.88,.38,;-5.21,2.69,;-5.21,4.23,;3.26,-4.03,;4.8,-4.03,)| | ||
| Structure | 
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