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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Isoform C of Beta-secretase 1 (BACE-I-457) | ||
| Ligand | BDBM113393 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | BACE Assay | ||
| IC50 | 15.9±n/a nM | ||
| Citation |  Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Inhibitors of beta-secretase US Patent US8633212 Publication Date 1/21/2014 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Isoform C of Beta-secretase 1 (BACE-I-457) | |||
| Name: | Isoform C of Beta-secretase 1 (BACE-I-457) | ||
| Synonyms: | BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE) | Beta-secretase 1 (BACE-I-457) | KIAA1149 | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 51006.30 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P56817-3 | ||
| Residue: | 457 | ||
| Sequence: |
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| BDBM113393 | |||
| n/a | |||
| Name | BDBM113393 | ||
| Synonyms: | US10336717, Compound 579 | US8633212, 579 | US9212153, 579 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H22BrN3O2 | ||
| Mol. Mass. | 392.29 | ||
| SMILES | CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3[C@]22N=C(N)N(C)C2=O)CC1 |r,wD:5.5,14.16,2.1,t:17,(5.88,-3.1,;5.11,-1.77,;3.57,-1.77,;2.8,-.43,;1.26,-.43,;.49,-1.77,;-.41,-3.01,;-1.88,-2.54,;-3.21,-3.31,;-4.55,-2.54,;-4.55,-1,;-5.88,-.23,;-3.21,-.23,;-1.88,-1,;-.41,-.52,;-1.88,-.04,;-1.88,1.5,;-3.21,2.27,;-.41,1.97,;.36,3.31,;.49,.73,;2.03,.73,;1.26,-3.1,;2.8,-3.1,)| | ||
| Structure | 
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