Reaction Details | |||
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Target | Dual specificity protein kinase TTK | ||
Ligand | BDBM50569990 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2110866 (CHEMBL4819716) | ||
IC50 | 20±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: |
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BDBM50569990 | |||
n/a | |||
Name | BDBM50569990 | ||
Synonyms: | CHEMBL4858486 | ||
Type | Small organic molecule | ||
Emp. Form. | C33H45N7O3 | ||
Mol. Mass. | 587.7555 | ||
SMILES | COc1cc(ccc1Nc1ncc2cc(C)c(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(16.39,-16.35,;17.73,-15.58,;17.73,-14.04,;16.41,-13.27,;16.41,-11.73,;17.75,-10.96,;19.08,-11.74,;19.08,-13.28,;20.41,-14.06,;21.74,-13.29,;21.75,-11.75,;23.08,-10.99,;24.42,-11.77,;25.76,-11.01,;27.09,-11.78,;28.42,-11.03,;27.08,-13.32,;28.4,-14.11,;25.74,-14.09,;25.73,-15.63,;24.39,-16.39,;24.38,-17.93,;25.71,-18.71,;27.05,-17.94,;27.06,-16.4,;25.7,-20.25,;27.03,-21.02,;27.02,-22.56,;28.37,-20.27,;28.38,-18.73,;29.71,-17.96,;31.05,-18.74,;31.03,-20.28,;29.7,-21.04,;24.41,-13.31,;23.07,-14.07,;15.08,-10.95,;13.75,-11.71,;12.42,-10.93,;12.43,-9.39,;11.1,-8.62,;13.77,-8.63,;15.1,-9.41,)| | ||
Structure |