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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-secretase 1 | ||
| Ligand | BDBM50393107 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_853652 (CHEMBL2154189) | ||
| IC50 | 0.590000±n/a nM | ||
| Citation |  Blass, B Compounds and Their Use as BACE Inhibitors: Patent Highlight. ACS Med Chem Lett3:875-876 (2012) [PubMed] Article | ||
| 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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| BDBM50393107 | |||
| n/a | |||
| Name | BDBM50393107 | ||
| Synonyms: | CHEMBL2152921 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H24ClFN4O | ||
| Mol. Mass. | 450.936 | ||
| SMILES | CO[C@H]1CC[C@@]2(Cc3ccc(cc3C22N=C(C)C(N)=N2)-c2cc(Cl)c(F)c(c2)C#N)CC1 |r,wD:5.5,2.1,c:20,t:16,(46.94,-22.47,;46.18,-21.13,;44.64,-21.12,;43.87,-19.78,;42.33,-19.76,;41.56,-21.1,;40.66,-22.35,;39.19,-21.88,;37.85,-22.66,;36.52,-21.89,;36.52,-20.35,;37.85,-19.58,;39.19,-20.34,;40.65,-19.85,;39.74,-18.62,;40.62,-17.36,;40.13,-15.9,;42.1,-17.82,;43.33,-16.91,;42.11,-19.36,;35.19,-19.58,;33.87,-20.35,;32.53,-19.58,;31.2,-20.36,;32.53,-18.04,;31.19,-17.27,;33.86,-17.27,;35.19,-18.04,;33.85,-15.73,;33.85,-14.19,;42.33,-22.43,;43.86,-22.44,)| | ||
| Structure | 
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