Reaction Details | |||
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Target | Isoform C of Beta-secretase 1 (BACE-I-457) | ||
Ligand | BDBM113238 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Enzyme Assay | ||
pH | 4.5±n/a | ||
Temperature | 298.15±n/a K | ||
IC50 | 11.5±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 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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BDBM113238 | |||
n/a | |||
Name | BDBM113238 | ||
Synonyms: | US10336717, Compound 16 | US8633212, 16 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H28ClN3O3 | ||
Mol. Mass. | 453.961 | ||
SMILES | COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C)C2=O)-c2cc(Cl)cc(OC)c2)CC1 |t:16,(9.1,-.55,;8.01,-1.64,;6.53,-1.24,;5.03,-1.61,;3.94,-2.7,;2.6,-1.93,;1.7,-3.17,;.23,-2.7,;-1.1,-3.47,;-2.43,-2.7,;-2.43,-1.16,;-1.1,-.38,;.23,-1.16,;1.7,-.68,;.23,-.2,;.23,1.34,;-1.1,2.11,;1.7,1.81,;2.47,3.15,;2.6,.57,;4.14,.57,;-3.77,-.39,;-3.77,1.15,;-5.1,1.93,;-5.1,3.47,;-6.43,1.15,;-6.43,-.39,;-7.77,-1.16,;-9.1,-.38,;-5.1,-1.16,;4.1,-1.61,;5.19,-.47,)| | ||
Structure |