Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Beta-secretase 1 | ||
Ligand | BDBM228963 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | In Vivo Inhibition of Beta-Secretase | ||
IC50 | 1.000±n/a nM | ||
Citation | Lewis, RT; Allen, JR; Cheng, Y; Choquette, D; Epstein, O; Guzman-Perez, A; Harrington, PE; Hua, Z; Hungate, RW; Human, JB; Judd, T; Liu, Q; Lopez, P; Minatti, AE; Olivieri, P; Romero, K; Rumfelt, S; Rzasa, RM; Schenkel, L; Stellwagen, J; White, R; Xue, Q; Zheng, XM; Zhong, W Amino-dihydrothiazine and amino-dioxido dihydrothiazine compounds as beta-secretase antagonists and methods of use US Patent US9556135 Publication Date 1/31/2017 | ||
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: |
| ||
BDBM228963 | |||
n/a | |||
Name | BDBM228963 | ||
Synonyms: | US9556135, 125 | ||
Type | Small organic molecule | ||
Emp. Form. | C20H19ClF2N4O3S | ||
Mol. Mass. | 468.905 | ||
SMILES | C[C@]1(CS(=O)(=O)[C@@]2(C[C@H](F)C2)C(N)=N1)c1cc(NC(=O)c2ccc(Cl)cn2)ccc1F |r,wU:6.10,wD:1.0,8.8,c:13,(6,-2.63,;4.67,-1.86,;6,-1.09,;6,.45,;7.34,1.22,;7.34,-.32,;4.67,1.22,;3.58,2.31,;4.67,3.4,;4.67,4.94,;5.76,2.31,;3.33,.45,;2,1.22,;3.33,-1.09,;3.33,-2.63,;2,-1.86,;.67,-2.63,;-.67,-1.86,;-2,-2.63,;-2,-4.17,;-3.33,-1.86,;-4.67,-2.63,;-6,-1.86,;-6,-.32,;-7.34,.45,;-4.67,.45,;-3.33,-.32,;.67,-4.17,;2,-4.94,;3.33,-4.17,;4.67,-4.94,)| | ||
Structure |