Reaction Details | |||
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Target | Beta-secretase 1 [1-460] | ||
Ligand | BDBM136913 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | FRET Assay | ||
IC50 | 22.0±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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BDBM136913 | |||
n/a | |||
Name | BDBM136913 | ||
Synonyms: | US10231967, Example 135 | US8865911, 135 | US9918985, Example 135 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H30N4O | ||
Mol. Mass. | 426.5533 | ||
SMILES | CCO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cncc(c2)C#CC)CC1 |r,wD:6.6,3.2,c:21,t:17,(7.98,-4.8,;6.44,-4.8,;5.67,-3.47,;4.13,-3.47,;3.36,-2.13,;1.82,-2.13,;1.05,-3.47,;.15,-4.71,;-1.32,-4.24,;-2.65,-5.01,;-3.98,-4.24,;-3.98,-2.7,;-2.65,-1.93,;-1.32,-2.7,;.15,-2.22,;-.76,-.97,;.15,.27,;-.62,1.61,;1.61,-.2,;2.95,.57,;1.61,-1.74,;-5.32,-1.93,;-6.65,-2.7,;-7.98,-1.93,;-7.98,-.39,;-6.65,.39,;-5.32,-.39,;-6.65,1.93,;-6.65,3.47,;-6.65,5.01,;1.82,-4.8,;3.36,-4.8,)| | ||
Structure |