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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Amyloid-beta precursor protein | ||
| Ligand | BDBM136861 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | TR-FRET Assay | ||
| IC50 | 1.50±n/a nM | ||
| 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 US10231967 Publication Date 3/19/2019 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Amyloid-beta precursor protein | |||
| Name: | Amyloid-beta precursor protein | ||
| Synonyms: | A4 | A4_HUMAN | ABPP | AD1 | AICD-50 | AICD-57 | AICD-59 | AID(50) | AID(57) | AID(59) | APP | APPI | Alzheimer disease amyloid protein | Amyloid beta A4 protein | Amyloid beta Protein | Amyloid beta protein (sAPPbeta) | Amyloid beta protein Abeta(1-42) | Amyloid intracellular domain 50 | Amyloid intracellular domain 57 | Amyloid intracellular domain 59 | Amyloid protein (Abeta42b) | Amyloid β-protein (Aβ42) | Beta amyloid A4 protein | Beta-APP40 | Beta-APP42 | Beta-amyloid protein 40 | Beta-amyloid protein 42 | C31 | C83 | C99 | CVAP | Cerebral vascular amyloid peptide | Gamma Secretase | Gamma-CTF(50) | Gamma-CTF(57) | Gamma-CTF(59) | Gamma-secretase | Gamma-secretase C-terminal fragment 50 | Gamma-secretase C-terminal fragment 57 | Gamma-secretase C-terminal fragment 59 | P3(40) | P3(42) | PN-II | PreA4 | Protease nexin-II | S-APP-alpha | S-APP-beta | Soluble APP-alpha | Soluble APP-beta | beta-Amyloid Precursor Protein (APP) | ||
| Type: | Single-pass type I membrane protein | ||
| Mol. Mass.: | 86890.41 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P05067 | ||
| Residue: | 770 | ||
| Sequence: |
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| BDBM136861 | |||
| n/a | |||
| Name | BDBM136861 | ||
| Synonyms: | US10231967, Example 98 | US8865911, 98 | US9918985, Example 98 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H28FN3O2 | ||
| Mol. Mass. | 421.5071 | ||
| SMILES | CO[C@H]1CC[C@@]2(Cc3ccc(cc3[C@@]22N=C(C)C(N)=N2)-c2cc(OC)ccc2F)CC1 |r,wU:13.15,wD:5.5,2.1,c:20,t:16,(8.55,-3.04,;7.78,-1.7,;6.24,-1.7,;5.47,-.37,;3.93,-.37,;3.16,-1.7,;2.25,-2.95,;.79,-2.47,;-.55,-3.24,;-1.88,-2.47,;-1.88,-.93,;-.55,-.16,;.79,-.93,;2.25,-.46,;1.01,.45,;1.48,1.91,;.71,3.24,;3.02,1.91,;3.79,3.24,;3.5,.45,;-3.21,-.16,;-4.55,-.93,;-5.88,-.16,;-7.21,-.93,;-8.55,-.16,;-5.88,1.38,;-4.55,2.15,;-3.21,1.38,;-1.88,2.15,;3.93,-3.04,;5.47,-3.04,)| | ||
| Structure | 
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