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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-secretase 1 | ||
| Ligand | BDBM136871 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Diluted TR-FRET Assay | ||
| pH | 9.2±n/a | ||
| IC50 | 1.3±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: |
| ||
| BDBM136871 | |||
| n/a | |||
| Name | BDBM136871 | ||
| Synonyms: | US10231967, Example 108 | US8865911, 108 | US9918985, Example 108 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H23ClF2N4O | ||
| Mol. Mass. | 468.926 | ||
| SMILES | CC1=NC2(N=C1N)c1cc(ccc1C[C@@]21CC[C@@H](CC1)OC(F)F)-c1cc(Cl)cc(c1)C#N |r,wD:14.15,17.23,c:4,t:1,(-.06,3.59,;.71,2.25,;.24,.79,;1.48,-.12,;2.73,.79,;2.25,2.25,;3.02,3.59,;.02,-.59,;-1.32,.18,;-2.65,-.59,;-2.65,-2.13,;-1.32,-2.9,;.02,-2.13,;1.48,-2.61,;2.39,-1.36,;3.16,-.03,;4.7,-.03,;5.47,-1.36,;4.7,-2.69,;3.16,-2.69,;7.01,-1.36,;7.78,-2.69,;9.32,-2.69,;7.01,-4.03,;-3.98,.18,;-3.98,1.72,;-5.32,2.49,;-5.32,4.03,;-6.65,1.72,;-6.65,.18,;-5.32,-.59,;-7.98,-.59,;-9.32,-1.36,)| | ||
| Structure | 
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