| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Beta-secretase 2 |
|---|
| Ligand | BDBM50570460 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2112329 (CHEMBL4821179) |
|---|
| IC50 | 6.9±n/a nM |
|---|
| Citation |  Fujimoto, K; Yoshida, S; Tadano, G; Asada, N; Fuchino, K; Suzuki, S; Matsuoka, E; Yamamoto, T; Yamamoto, S; Ando, S; Kanegawa, N; Tonomura, Y; Ito, H; Moechars, D; Rombouts, FJR; Gijsen, HJM; Kusakabe, KI Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective ?-Secretase (BACE1) Inhibitors over BACE2. J Med Chem64:3075-3085 (2021) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Beta-secretase 2 |
|---|
| Name: | Beta-secretase 2 |
|---|
| Synonyms: | BACE2_MOUSE | Bace2 | Beta-secretase 2 (BACE2) |
|---|
| Type: | Enzyme |
|---|
| Mol. Mass.: | 55787.27 |
|---|
| Organism: | Mus musculus (Mouse) |
|---|
| Description: | Q9JL18 |
|---|
| Residue: | 514 |
|---|
| Sequence: | MGALLRALLLLVLAQWLLSAVPALAPAPFTLPLQVAGATNHRASAVPGLGTPELPRADGL
ALALEPVRATANFLAMVDNLQGDSGRGYYLEMLIGTPPQKVQILVDTGSSNFAVAGAPHS
YIDTYFDSESSSTYHSKGFDVTVKYTQGSWTGFVGEDLVTIPKGFNSSFLVNIATIFESE
NFFLPGIKWNGILGLAYAALAKPSSSLETFFDSLVAQAKIPDIFSMQMCGAGLPVAGSGT
NGGSLVLGGIEPSLYKGDIWYTPIKEEWYYQIEILKLEIGGQNLNLDCREYNADKAIVDS
GTTLLRLPQKVFDAVVEAVARTSLIPEFSDGFWTGAQLACWTNSETPWAYFPKISIYLRD
ENASRSFRITILPQLYIQPMMGAGFNYECYRFGISSSTNALVIGATVMEGFYVVFDRAQR
RVGFAVSPCAEIEGTTVSEISGPFSTEDIASNCVPAQALNEPILWIVSYALMSVCGAILL
VLILLLLLPLHCRHAPRDPEVVNDESSLVRHRWK
|
|
|
|---|
| BDBM50570460 |
|---|
| n/a |
|---|
| Name | BDBM50570460 |
|---|
| Synonyms: | CHEMBL4854629 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C22H19F4N5O3 |
|---|
| Mol. Mass. | 477.4116 |
|---|
| SMILES | CC#C[C@@]1(N=C(N)OCC11CC(F)(F)C1)c1cc(NC(=O)c2cnc(OCF)cn2)ccc1F |r,t:4| |
|---|
| Structure | 
|
|---|
Search and Browse
