Reaction Details | |||
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Target | Beta-secretase 1 [1-458] | ||
Ligand | BDBM195181 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | BACE Enzyme Assay (Ex.435) | ||
pH | 4.4±n/a | ||
IC50 | 3.5±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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BDBM195181 | |||
n/a | |||
Name | BDBM195181 | ||
Synonyms: | US10336717, Compound 244 | US9212153, 244,Ex. 199 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H29N3O3 | ||
Mol. Mass. | 383.484 | ||
SMILES | COC1CCC2(Cc3ccc(OCC4CC4)cc3C22N=C(N)N(C)C2=O)CC1 |t:22,(5.61,-4.4,;4.12,-4.8,;3.03,-3.71,;1.69,-4.48,;.62,-3.37,;-.88,-2.99,;-1.78,-4.24,;-3.25,-3.76,;-4.58,-4.53,;-5.92,-3.76,;-5.92,-2.22,;-7.25,-1.45,;-8.58,-2.22,;-9.92,-1.45,;-10.69,-.12,;-11.46,-1.45,;-4.58,-1.45,;-3.25,-2.22,;-1.78,-1.75,;-2.69,-.5,;-1.78,.74,;-2.18,2.23,;-.32,.27,;1.02,1.04,;-.32,-1.27,;1.02,-2.04,;.46,-2.22,;1.53,-3.33,)| | ||
Structure |