Reaction Details | |||
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Target | Beta-secretase 1 | ||
Ligand | BDBM50393103 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Diluted TR-FRET Assay | ||
pH | 9.2±n/a | ||
IC50 | 1.4±n/a nM | ||
Comments | extracted | ||
Citation | Csjernyik, G; Karlstrom, S; Kers, A; Kolmodin, K; Nylof, M; Ohberg, L; Rakos, L; Sandberg, L; Sehgelmeble, F; Soderman, P; Swahn, B; Von Berg, S Compounds and their use as BACE inhibitors US Patent US8865911 Publication Date 10/21/2014 | ||
More Info.: | Get all data from this article, Assay Method | ||
Beta-secretase 1 | |||
Name: | Beta-secretase 1 | ||
Synonyms: | ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1) | ||
Type: | Protein | ||
Mol. Mass.: | 55755.10 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P56817 | ||
Residue: | 501 | ||
Sequence: |
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BDBM50393103 | |||
n/a | |||
Name | BDBM50393103 | ||
Synonyms: | CHEMBL2151058 | US10231967, Example 20z | US9918985, Example 20z | ||
Type | Small organic molecule | ||
Emp. Form. | C27H29N3O | ||
Mol. Mass. | 411.5387 | ||
SMILES | CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cccc(c2)C#CC)CC1 |r,wD:5.5,2.1,c:20,t:16,(25.81,-10.6,;25.05,-9.26,;23.51,-9.24,;22.75,-7.91,;21.21,-7.89,;20.44,-9.22,;19.54,-10.47,;18.07,-10.01,;16.73,-10.79,;15.4,-10.01,;15.4,-8.47,;16.73,-7.7,;18.06,-8.46,;19.53,-7.98,;18.61,-6.74,;19.5,-5.48,;19,-4.03,;20.97,-5.95,;22.21,-5.03,;20.99,-7.49,;14.07,-7.7,;14.07,-6.16,;12.74,-5.39,;11.4,-6.16,;11.41,-7.71,;12.74,-8.47,;10.08,-8.48,;8.73,-9.24,;7.39,-10,;21.2,-10.56,;22.73,-10.56,)| | ||
Structure |