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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-secretase 1 [1-458] | ||
| Ligand | BDBM195494 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | BACE Enzyme Assay (Ex.435) | ||
| pH | 4.4±n/a | ||
| IC50 | 49.3±n/a nM | ||
| Comments | extracted | ||
| 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 US9212153 Publication Date 12/15/2015 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Beta-secretase 1 [1-458] | |||
| Name: | Beta-secretase 1 [1-458] | ||
| Synonyms: | BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (aa 1-458) | KIAA1149 | ||
| Type: | n/a | ||
| Mol. Mass.: | 50753.53 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Truncation 1-458 aa with His-tag at C-terminus | ||
| Residue: | 458 | ||
| Sequence: |
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| BDBM195494 | |||
| n/a | |||
| Name | BDBM195494 | ||
| Synonyms: | US9212153, 158,Ex. 121 | US9526727, Comparison Example Table 2, 2''-amino-4-methoxy-5''-oxo-1''-(propan-2-yl)-1'',5''-dihydro-3'H-dispiro[cyclohexane-1,2'-indene-1',4''-imidazole]-6'-carbonitrile | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H26N4O2 | ||
| Mol. Mass. | 366.4567 | ||
| SMILES | COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)C#N)CC1 |t:16,(4.25,-6.47,;2.92,-7.24,;1.59,-6.47,;.5,-7.56,;-.84,-6.8,;-2.38,-6.8,;-3.29,-8.04,;-4.75,-7.57,;-6.08,-8.34,;-7.42,-7.57,;-7.42,-6.03,;-6.08,-5.26,;-4.75,-6.03,;-3.29,-5.55,;-4.19,-4.3,;-3.29,-3.06,;-4.06,-1.72,;-1.82,-3.53,;-.73,-2.45,;.75,-2.84,;-1.13,-.96,;-1.82,-5.07,;-.33,-5.47,;-8.75,-5.26,;-10.09,-6.03,;-1.29,-5.71,;.05,-6.47,)| | ||
| Structure | 
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