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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dual specificity protein kinase TTK | ||
| Ligand | BDBM50569975 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2110865 (CHEMBL4819715) | ||
| Kd | 0.410000±n/a nM | ||
| Citation |  Huang, M; Huang, Y; Guo, J; Yu, L; Chang, Y; Wang, X; Luo, J; Huang, Y; Tu, Z; Lu, X; Xu, Y; Zhang, Z; Zhang, Z; Ding, K Pyrido[2, 3-d]pyrimidin-7(8H)-ones as new selective orally bioavailable Threonine Tyrosine Kinase (TTK) inhibitors. Eur J Med Chem211:0 (2021) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Dual specificity protein kinase TTK | |||
| Name: | Dual specificity protein kinase TTK | ||
| Synonyms: | Dual specificity protein kinase (TTK) | Dual specificity protein kinase TTK (MPS1) | MPS1 | MPS1L1 | Monopolar Spindle 1 (MPS1) | Monopolar Spindle 1 (Mps-1) | Monopolar Spindle 1 Kinase (MPS1) | Phosphotyrosine picked threonine-protein kinase (MPS1) | TTK | TTK_HUMAN | ||
| Type: | Protein | ||
| Mol. Mass.: | 97086.79 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P33981 | ||
| Residue: | 857 | ||
| Sequence: |
| ||
| BDBM50569975 | |||
| n/a | |||
| Name | BDBM50569975 | ||
| Synonyms: | CHEMBL4860430 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C30H39N7O3 | ||
| Mol. Mass. | 545.6758 | ||
| SMILES | COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(19.69,-19.78,;21.01,-18.98,;20.99,-17.44,;19.64,-16.7,;19.61,-15.16,;20.93,-14.36,;22.27,-15.11,;22.31,-16.65,;23.65,-17.39,;24.97,-16.59,;24.94,-15.05,;26.26,-14.26,;27.61,-15.01,;28.93,-14.21,;28.9,-12.67,;30.28,-14.96,;30.31,-16.5,;31.65,-17.25,;28.99,-17.29,;29.01,-18.83,;27.7,-19.63,;27.73,-21.17,;29.07,-21.91,;30.39,-21.12,;30.36,-19.58,;29.09,-23.46,;30.44,-24.2,;30.47,-25.74,;31.77,-23.41,;32.51,-22.06,;33.31,-23.38,;27.64,-16.55,;26.32,-17.34,;18.26,-14.41,;16.94,-15.21,;15.59,-14.46,;15.57,-12.92,;14.22,-12.18,;16.88,-12.13,;18.23,-12.87,)| | ||
| Structure | 
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