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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Beta-secretase 1 | ||
| Ligand | BDBM50393102 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_853652 (CHEMBL2154189) | ||
| IC50 | 0.560000±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: |
| ||
| BDBM50393102 | |||
| n/a | |||
| Name | BDBM50393102 | ||
| Synonyms: | CHEMBL2152917 | US10231967, Example 20t | US8865911, 20t | US8865911, 20t Isomer 1 | US8865911, 20t Isomer 2 | US9918985, Example 20t Isomer 1 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H31N3O2 | ||
| Mol. Mass. | 369.5004 | ||
| SMILES | CO[C@H]1CC[C@@]2(Cc3ccc(OCC(C)C)cc3C22N=C(C)C(N)=N2)CC1 |r,wD:5.5,2.1,c:25,t:21,(5.46,-10.89,;4.7,-9.55,;3.16,-9.54,;2.4,-8.2,;.86,-8.18,;.08,-9.52,;-.81,-10.77,;-2.28,-10.3,;-3.62,-11.08,;-4.96,-10.31,;-4.96,-8.77,;-6.29,-8,;-7.62,-8.76,;-8.95,-7.99,;-10.29,-8.76,;-8.95,-6.45,;-3.63,-7.99,;-2.29,-8.76,;-.83,-8.27,;-1.74,-7.04,;-.86,-5.78,;-1.35,-4.32,;.62,-6.24,;1.85,-5.32,;.63,-7.78,;.85,-10.85,;2.38,-10.86,)| | ||
| Structure | 
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