Reaction Details | |||
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Target | Beta-secretase 1 [1-458] | ||
Ligand | BDBM195521 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | BACE Enzyme Assay (Ex.435) | ||
pH | 4.4±n/a | ||
IC50 | 1.7±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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BDBM195521 | |||
n/a | |||
Name | BDBM195521 | ||
Synonyms: | US9212153, 334,Ex. 282 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H33N3O3 | ||
Mol. Mass. | 447.5692 | ||
SMILES | COC1CCC2(Cc3ccc(cc3[C@]22N=C(N)N(C[C@@H]3CCCO3)C2=O)C#CC2CC2)CC1 |r,wU:19.20,wD:13.15,t:16,(5.04,19.3,;3.5,19.3,;2.73,20.63,;1.4,19.86,;.3,21,;-1.19,21.32,;-2.1,20.07,;-3.56,20.55,;-4.9,19.78,;-6.23,20.55,;-6.23,22.09,;-4.9,22.86,;-3.56,22.09,;-2.1,22.56,;-3,23.81,;-2.1,25.05,;-2.5,26.54,;-.63,24.58,;.7,25.35,;2.03,24.58,;2.03,23.04,;3.5,22.56,;4.4,23.81,;3.5,25.05,;-.63,23.04,;.85,22.42,;-7.56,22.86,;-8.9,23.63,;-10.23,24.4,;-11.77,24.4,;-11,25.73,;.14,22.09,;1.24,21,)| | ||
Structure |