Reaction Details | |||
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Target | Beta-secretase 1 | ||
Ligand | BDBM50305478 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_603776 (CHEMBL1042914) | ||
IC50 | 390±n/a nM | ||
Citation | Nowak, P; Cole, DC; Aulabaugh, A; Bard, J; Chopra, R; Cowling, R; Fan, KY; Hu, B; Jacobsen, S; Jani, M; Jin, G; Lo, MC; Malamas, MS; Manas, ES; Narasimhan, R; Reinhart, P; Robichaud, AJ; Stock, JR; Subrath, J; Svenson, K; Turner, J; Wagner, E; Zhou, P; Ellingboe, JW Discovery and initial optimization of 5,5'-disubstituted aminohydantoins as potent beta-secretase (BACE1) inhibitors. Bioorg Med Chem Lett20:632-5 (2010) [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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BDBM50305478 | |||
n/a | |||
Name | BDBM50305478 | ||
Synonyms: | 4-((2-amino-4-cyclohexyl-5-oxo-4-phenyl-4,5-dihydro-1H-imidazol-1-yl)methyl)cyclohexanecarboxylic acid | CHEMBL589891 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H31N3O3 | ||
Mol. Mass. | 397.5105 | ||
SMILES | NC1=NC(C2CCCCC2)(C(=O)N1C[C@H]1CC[C@@H](CC1)C(O)=O)c1ccccc1 |r,wU:14.15,wD:17.22,t:1,(23.53,3.34,;24.5,2.14,;24.09,.65,;25.38,-.19,;26.71,-.96,;26.7,-2.49,;28.03,-3.26,;29.36,-2.5,;29.36,-.96,;28.03,-.19,;26.58,.77,;28.07,.37,;26.03,2.21,;26.82,3.54,;28.36,3.52,;29.14,4.84,;30.69,4.81,;31.44,3.47,;30.64,2.15,;29.11,2.17,;32.98,3.45,;33.73,2.1,;33.77,4.77,;24.04,-.95,;22.71,-.16,;21.37,-.92,;21.36,-2.46,;22.7,-3.24,;24.03,-2.48,)| | ||
Structure |