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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Glycogen synthase kinase-3 | ||
| Ligand | BDBM50025665 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1433002 (CHEMBL3384538) | ||
| IC50 | 70±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: |
| ||
| BDBM50025665 | |||
| n/a | |||
| Name | BDBM50025665 | ||
| Synonyms: | CHEMBL3335168 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C19H24N4O5 | ||
| Mol. Mass. | 388.4177 | ||
| SMILES | COc1cccc(OC)c1C(=O)Nc1c[nH]nc1C(=O)N[C@H]1CC[C@H](O)CC1 |r,wU:24.26,wD:21.22,(5.66,-21.58,;7.2,-21.55,;7.95,-20.21,;7.16,-18.89,;7.92,-17.54,;9.46,-17.52,;10.24,-18.85,;11.78,-18.83,;12.54,-17.49,;9.48,-20.19,;10.27,-21.51,;9.51,-22.85,;11.81,-21.49,;12.59,-22.82,;12.15,-24.29,;13.42,-25.16,;14.65,-24.23,;14.13,-22.77,;14.9,-21.44,;14.14,-20.1,;16.44,-21.45,;17.22,-20.11,;18.76,-20.13,;19.53,-18.81,;18.77,-17.47,;19.55,-16.14,;17.23,-17.46,;16.45,-18.79,)| | ||
| Structure | 
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