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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Dual specificity protein kinase TTK | ||
| Ligand | BDBM50569981 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2110865 (CHEMBL4819715) | ||
| Kd | 0.300000±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: |
| ||
| BDBM50569981 | |||
| n/a | |||
| Name | BDBM50569981 | ||
| Synonyms: | CHEMBL4868353 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C33H39N7O3 | ||
| Mol. Mass. | 581.7079 | ||
| SMILES | COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)c3ccccc3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(27.01,-14.68,;28.34,-13.91,;28.33,-12.37,;27,-11.6,;26.99,-10.06,;28.33,-9.29,;29.66,-10.05,;29.67,-11.59,;31.01,-12.35,;32.33,-11.58,;32.33,-10.04,;33.66,-9.27,;35,-10.03,;36.33,-9.26,;36.32,-7.72,;37.66,-10.02,;37.67,-11.56,;39,-12.33,;36.34,-12.34,;36.34,-13.88,;35.01,-14.65,;35.02,-16.19,;36.35,-16.96,;37.69,-16.18,;37.68,-14.64,;36.36,-18.5,;37.69,-19.26,;37.7,-20.8,;39.03,-18.49,;39.02,-16.95,;40.35,-16.18,;41.69,-16.94,;41.69,-18.48,;40.36,-19.26,;35,-11.57,;33.67,-12.35,;25.65,-9.3,;24.33,-10.07,;22.99,-9.31,;22.99,-7.77,;21.65,-7,;24.32,-6.99,;25.65,-7.76,)| | ||
| Structure | 
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