Reaction Details | |||
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Target | Isoform C of Beta-secretase 1 (BACE-I-457) | ||
Ligand | BDBM113364 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | BACE Assay | ||
IC50 | 4.5±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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BDBM113364 | |||
n/a | |||
Name | BDBM113364 | ||
Synonyms: | US10336717, Compound 543 | US8633212, 543 | US9212153, 543 | ||
Type | Small organic molecule | ||
Emp. Form. | C27H33N3O4 | ||
Mol. Mass. | 463.5686 | ||
SMILES | CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(N)N(CC(=O)OC(C)C)C2=O)C#CC2CC2)CC1 |r,wD:5.5,2.1,t:16,(7.63,-3.61,;6.86,-2.27,;5.32,-2.27,;4.55,-.94,;3.01,-.94,;2.24,-2.27,;1.33,-3.52,;-.13,-3.04,;-1.47,-3.81,;-2.8,-3.04,;-2.8,-1.5,;-1.47,-.73,;-.13,-1.5,;1.33,-1.03,;.08,-.12,;.56,1.34,;-.21,2.68,;2.1,1.34,;3.19,2.43,;4.68,2.03,;5.08,.55,;5.77,3.12,;7.25,2.72,;8.34,3.81,;7.65,1.24,;2.58,-.12,;4.12,-.12,;-4.14,-.73,;-5.47,.04,;-6.8,.81,;-7.57,2.14,;-8.34,.81,;3.01,-3.61,;4.55,-3.61,)| | ||
Structure |