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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Glycogen synthase kinase-3 beta/[Tau protein] kinase | ||
| Ligand | BDBM50469189 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1803575 (CHEMBL4275867) | ||
| IC50 | 320±n/a nM | ||
| Citation |  Compain, G; Oumata, N; Clarhaut, J; Péraudeau, E; Renoux, B; Galons, H; Papot, S A ?-glucuronidase-responsive albumin-binding prodrug for potential selective kinase inhibitor-based cancer chemotherapy. Eur J Med Chem158:1-6 (2018) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Glycogen synthase kinase-3 beta/[Tau protein] kinase | |||
| Name: | Glycogen synthase kinase-3 beta/[Tau protein] kinase | ||
| Synonyms: | Glycogen synthase kinase-3 | ||
| Type: | n/a | ||
| Mol. Mass.: | n/a | ||
| Description: | ASSAY_ID of ChEMBL is 2105817 | ||
| Components: | This complex has 2 components. | ||
| Component 1 | |||
| Name: | Glycogen synthase kinase-3 beta | ||
| Synonyms: | Glycogen synthase kinase 3 beta | Glycogen synthase kinase-3 | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 46774.42 | ||
| Organism: | Sus scrofa | ||
| Description: | ChEMBL_939732 | ||
| Residue: | 420 | ||
| Sequence: |
| ||
| Component 2 | |||
| Name: | [Tau protein] kinase | ||
| Synonyms: | GSK3A | Glycogen synthase kinase 3 alpha | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 51010.29 | ||
| Organism: | Sus scrofa | ||
| Description: | ChEMBL_117799 | ||
| Residue: | 483 | ||
| Sequence: |
| ||
| BDBM50469189 | |||
| n/a | |||
| Name | BDBM50469189 | ||
| Synonyms: | CHEMBL4284209 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H32N8 | ||
| Mol. Mass. | 456.5859 | ||
| SMILES | CC(C)c1cnn2c(NCc3ccc(cc3)-c3ccccn3)nc(N[C@H]3CC[C@H](N)CC3)nc12 |r,wU:28.30,wD:25.26,(51.12,-22.52,;52.63,-22.18,;53.65,-23.33,;53.1,-20.71,;52.18,-19.48,;53.09,-18.23,;54.56,-18.7,;55.89,-17.92,;55.89,-16.38,;54.55,-15.61,;54.55,-14.07,;55.88,-13.31,;55.88,-11.77,;54.54,-10.99,;53.2,-11.78,;53.21,-13.32,;54.53,-9.46,;55.87,-8.69,;55.86,-7.15,;54.52,-6.38,;53.18,-7.17,;53.2,-8.71,;57.23,-18.68,;57.24,-20.23,;58.57,-21.01,;59.9,-20.23,;61.23,-21.01,;62.56,-20.24,;62.56,-18.7,;63.9,-17.93,;61.23,-17.93,;59.89,-18.69,;55.9,-21.01,;54.56,-20.24,)| | ||
| Structure | 
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