Reaction Details | |||
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Target | Dual specificity protein kinase TTK | ||
Ligand | BDBM50569978 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2110865 (CHEMBL4819715) | ||
Kd | 0.120000±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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BDBM50569978 | |||
n/a | |||
Name | BDBM50569978 | ||
Synonyms: | CHEMBL4845775 | ||
Type | Small organic molecule | ||
Emp. Form. | C32H43N7O3 | ||
Mol. Mass. | 573.7289 | ||
SMILES | COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(15.45,-18.34,;16.79,-17.58,;16.81,-16.04,;15.48,-15.26,;15.5,-13.72,;16.84,-12.96,;18.16,-13.75,;18.15,-15.29,;19.47,-16.07,;20.82,-15.31,;20.83,-13.77,;22.17,-13.02,;23.5,-13.8,;24.84,-13.04,;24.85,-11.5,;26.16,-13.83,;26.15,-15.37,;27.47,-16.15,;24.81,-16.12,;24.79,-17.66,;23.46,-18.42,;23.44,-19.96,;24.77,-20.74,;26.11,-19.99,;26.12,-18.45,;24.75,-22.28,;26.08,-23.07,;26.06,-24.61,;27.42,-22.31,;27.6,-20.78,;29.11,-20.47,;29.86,-21.82,;28.82,-22.94,;23.48,-15.34,;22.14,-16.09,;14.17,-12.94,;12.83,-13.7,;11.5,-12.92,;11.51,-11.38,;10.19,-10.59,;12.86,-10.62,;14.19,-11.4,)| | ||
Structure |