Reaction Details | |||
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Target | Beta-secretase 1 | ||
Ligand | BDBM155124 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Diluted TR-FRET Assay | ||
pH | 2.5±n/a | ||
IC50 | 13±n/a nM | ||
Comments | extracted | ||
Citation | Karlstrom, S; Soderman, P; Rakos, L; Ohberg, L; Kolmodin, K; Sandberg, L Cyclohexane-1,2′-indene-1′,2″-imidazol compounds and their use as BACE inhibitors US Patent US9000183 Publication Date 4/7/2015 | ||
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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BDBM155124 | |||
n/a | |||
Name | BDBM155124 | ||
Synonyms: | US9000183, 9 Isomer 1 | ||
Type | Small organic molecule | ||
Emp. Form. | C25H24F2N4O | ||
Mol. Mass. | 434.4811 | ||
SMILES | CO[C@H]1CC[C@@]2(Cc3cc(F)c(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(F)cc(c2)C#N)CC1 |r,wU:14.16,wD:5.5,2.1,c:21,t:17,(8.55,-3.26,;7.78,-1.93,;6.24,-1.93,;5.47,-.59,;3.93,-.59,;3.16,-1.93,;2.25,-3.17,;.79,-2.7,;-.55,-3.47,;-1.88,-2.7,;-3.21,-3.47,;-1.88,-1.16,;-.55,-.39,;.79,-1.16,;2.25,-.68,;1.01,.23,;1.48,1.69,;.71,3.02,;3.02,1.69,;3.79,3.02,;3.5,.23,;-3.21,-.39,;-3.21,1.15,;-4.55,1.93,;-4.55,3.47,;-5.88,1.15,;-5.88,-.39,;-4.55,-1.16,;-7.21,-1.16,;-8.55,-1.93,;3.93,-3.26,;5.47,-3.26,)| | ||
Structure |