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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Glycogen synthase kinase-3 | ||
| Ligand | BDBM50025642 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1433002 (CHEMBL3384538) | ||
| IC50 | <5.0±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: |
| ||
| BDBM50025642 | |||
| n/a | |||
| Name | BDBM50025642 | ||
| Synonyms: | CHEMBL3335143 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H20F2N4O3 | ||
| Mol. Mass. | 378.3732 | ||
| SMILES | CO[C@H]1CC[C@@H](CC1)NC(=O)c1n[nH]cc1NC(=O)c1ccc(F)cc1F |r,wU:5.8,wD:2.1,(25.2,-17.72,;23.66,-17.71,;22.88,-19.04,;21.34,-19.03,;20.56,-20.36,;21.32,-21.69,;22.87,-21.71,;23.64,-20.38,;20.55,-23.02,;19.01,-23.02,;18.24,-21.68,;18.24,-24.35,;18.75,-25.81,;17.53,-26.74,;16.26,-25.87,;16.7,-24.4,;15.91,-23.07,;14.37,-23.09,;13.62,-24.43,;13.59,-21.76,;14.35,-20.43,;13.57,-19.1,;12.02,-19.12,;11.24,-17.79,;11.27,-20.47,;12.06,-21.79,;11.31,-23.13,)| | ||
| Structure | 
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