Reaction Details | |||
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Target | Beta-secretase 1 | ||
Ligand | BDBM50393102 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_853651 (CHEMBL2154188) | ||
IC50 | 20±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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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 |