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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Glycogen synthase kinase-3 | ||
| Ligand | BDBM50025632 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1433002 (CHEMBL3384538) | ||
| IC50 | 210±n/a nM | ||
| Citation |  Urich, R; Grimaldi, R; Luksch, T; Frearson, JA; Brenk, R; Wyatt, PG The design and synthesis of potent and selective inhibitors of Trypanosoma brucei glycogen synthase kinase 3 for the treatment of human african trypanosomiasis. J Med Chem57:7536-49 (2014) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Glycogen synthase kinase-3 | |||
| Name: | Glycogen synthase kinase-3 | ||
| Synonyms: | Glycogen synthase kinase-3 alpha/beta | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of ChEMBL is 2193535 | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Glycogen synthase kinase-3 alpha | ||
| Synonyms: | GSK-3 alpha | GSK3A | GSK3A_HUMAN | Glycogen synthase kinase 3 alpha (GSKalpha) | Glycogen synthase kinase-3 | Glycogen synthase kinase-3 alpha | Glycogen synthase kinase-3 alpha (GSK3 Alpha) | Glycogen synthase kinase-3 alpha (GSK3A) | Glycogen synthase kinase-3 alpha (GSK3alpha) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 50991.79 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P49840 | ||
| Residue: | 483 | ||
| Sequence: |
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| Component 2 | |||
| Name: | Glycogen synthase kinase-3 beta | ||
| Synonyms: | GSK-3 beta | GSK-3, beta | GSK3B | GSK3B_HUMAN | Glycogen synthase kinase 3 beta (GSK3B) | Glycogen synthase kinase 3-beta (GSK3B) | Glycogen synthase kinase-3 beta (GSK-3B) | Glycogen synthase kinase-3 beta (GSK3 Beta) | Glycogen synthase kinase-3 beta (GSK3B) | Glycogen synthase kinase-3B (GSK-3B) | Glycogen synthase kinase-3beta (GSK3B) | Serine/threonine-protein kinase GSK3B | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 46756.38 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P49841 | ||
| Residue: | 420 | ||
| Sequence: |
| ||
| BDBM50025632 | |||
| n/a | |||
| Name | BDBM50025632 | ||
| Synonyms: | CHEMBL3335122 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C20H26N4O4 | ||
| Mol. Mass. | 386.4448 | ||
| SMILES | CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)Cc1ccccc1OC |r,wU:5.8,wD:2.1,(18.39,-5.49,;16.85,-5.48,;16.07,-6.81,;14.53,-6.8,;13.74,-8.13,;14.51,-9.46,;16.05,-9.47,;16.83,-8.15,;13.74,-10.79,;12.2,-10.78,;11.43,-9.45,;11.42,-12.12,;11.94,-13.57,;10.72,-14.51,;9.45,-13.64,;9.88,-12.16,;9.1,-10.84,;7.56,-10.86,;6.8,-12.2,;6.77,-9.53,;5.23,-9.55,;4.46,-8.22,;2.92,-8.24,;2.16,-9.58,;2.95,-10.91,;4.49,-10.89,;5.28,-12.21,;4.5,-13.55,)| | ||
| Structure | 
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