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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-secretase 1 [1-460] | ||
| Ligand | BDBM50393100 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | FRET Assay | ||
| IC50 | 0.630±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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| BDBM50393100 | |||
| n/a | |||
| Name | BDBM50393100 | ||
| Synonyms: | CHEMBL2152915 | US10231967, Example 125 | US9918985, Example 125 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H25ClN4O | ||
| Mol. Mass. | 432.945 | ||
| SMILES | CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)cc(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(26.92,-.87,;26.16,.47,;24.62,.49,;23.85,1.82,;22.31,1.84,;21.54,.51,;20.64,-.74,;19.17,-.28,;17.83,-1.06,;16.5,-.28,;16.5,1.26,;17.83,2.03,;19.17,1.27,;20.63,1.75,;19.72,2.99,;20.6,4.25,;20.11,5.7,;22.08,3.78,;23.31,4.7,;22.09,2.24,;15.17,2.03,;15.17,3.57,;13.84,4.34,;13.84,5.88,;12.51,3.57,;12.51,2.02,;13.85,1.26,;11.18,1.25,;9.84,.49,;22.31,-.83,;23.84,-.83,)| | ||
| Structure | 
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