Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Isoform C of Beta-secretase 1 (BACE-I-457) | ||
Ligand | BDBM113343 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | BACE Assay | ||
IC50 | 9±n/a nM | ||
Citation | Cacatian, S; Claremon, DA; Dillard, LW; Fuchs, K; Heine, N; Jia, L; Leftheris, K; McKeever, B; Morales-Ramos, A; Singh, SB; Venkatraman, S; Wu, G; Wu, Z; Xu, Z; Yuan, J; Zheng, Y Inhibitors of beta-secretase US Patent US8633212 Publication Date 1/21/2014 | ||
More Info.: | Get all data from this article, Assay Method | ||
Isoform C of Beta-secretase 1 (BACE-I-457) | |||
Name: | Isoform C of Beta-secretase 1 (BACE-I-457) | ||
Synonyms: | BACE | BACE1 | BACE1_HUMAN | Beta-secretase 1 (BACE) | Beta-secretase 1 (BACE-I-457) | KIAA1149 | ||
Type: | Enzyme | ||
Mol. Mass.: | 51006.30 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P56817-3 | ||
Residue: | 457 | ||
Sequence: |
| ||
BDBM113343 | |||
n/a | |||
Name | BDBM113343 | ||
Synonyms: | US10336717, Compound 511 | US8633212, 511 | US9212153, 511 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H33F2N3O2 | ||
Mol. Mass. | 433.5345 | ||
SMILES | CO[C@H]1CC[C@@]2(Cc3ccc(CCC(C)C)cc3C22N=C(N)N(CC(F)F)C2=O)CC1 |r,wD:5.5,2.1,t:21,(7.88,-3.98,;7.11,-2.65,;5.57,-2.65,;4.8,-1.31,;3.26,-1.31,;2.49,-2.65,;1.59,-3.89,;.12,-3.42,;-1.21,-4.19,;-2.55,-3.42,;-2.55,-1.88,;-3.88,-1.11,;-5.21,-1.88,;-6.55,-1.11,;-7.88,-1.88,;-6.55,.43,;-1.21,-1.11,;.12,-1.88,;1.59,-1.4,;.34,-.5,;.82,.97,;.05,2.3,;2.36,.97,;3.13,2.3,;4.61,2.7,;5.01,4.19,;5.7,1.61,;2.83,-.5,;4.37,-.5,;3.26,-3.98,;4.8,-3.98,)| | ||
Structure |