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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-secretase 1 [1-460] | ||
| Ligand | BDBM369599 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | FRET Assay | ||
| IC50 | 1.000±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: |
| ||
| BDBM369599 | |||
| n/a | |||
| Name | BDBM369599 | ||
| Synonyms: | 3-[(1r,4r)-4″-Amino-4-(difluoromethoxy)-5″-methyl-3′H-dispiro[cyclohexane-1,2′-indene-1′,2″-imidazol]-6′-yl]-5-methoxybenzonitrile | US10231967, Example 106 | US9918985, Example 106 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H26F2N4O2 | ||
| Mol. Mass. | 464.507 | ||
| SMILES | COc1cc(cc(c1)-c1ccc2C[C@@]3(CC[C@@H](CC3)OC(F)F)C3(N=C(C)C(N)=N3)c2c1)C#N |r,wD:13.13,16.20,c:30,t:26,(-3.98,4.41,;-5.32,3.64,;-5.32,2.1,;-6.65,1.33,;-6.65,-.21,;-5.32,-.98,;-3.98,-.21,;-3.98,1.33,;-2.65,-.98,;-2.65,-2.52,;-1.32,-3.29,;.02,-2.52,;1.48,-2.99,;2.39,-1.75,;3.16,-.41,;4.7,-.41,;5.47,-1.75,;4.7,-3.08,;3.16,-3.08,;7.01,-1.75,;7.78,-3.08,;9.32,-3.08,;7.01,-4.41,;1.48,-.5,;.24,.4,;.71,1.87,;-.06,3.2,;2.25,1.87,;3.02,3.2,;2.73,.4,;.02,-.98,;-1.32,-.21,;-7.98,-.98,;-9.32,-1.75,)| | ||
| Structure | 
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