Reaction Details | |||
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Target | Dual specificity protein kinase TTK | ||
Ligand | BDBM50569973 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2110865 (CHEMBL4819715) | ||
Kd | 3.9±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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BDBM50569973 | |||
n/a | |||
Name | BDBM50569973 | ||
Synonyms: | CHEMBL4863607 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H39N7O2 | ||
Mol. Mass. | 517.6657 | ||
SMILES | CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(N4CCN(C)CC4)c(C)c3)ncc2c(C)cc1=O |r,wU:8.11,5.4,(45.43,-27.67,;45.45,-29.21,;44.12,-30,;44.15,-31.54,;42.78,-29.24,;42.76,-27.7,;41.42,-26.95,;41.4,-25.41,;42.72,-24.62,;44.06,-25.38,;44.08,-26.92,;42.7,-23.08,;41.36,-22.33,;40.04,-23.12,;38.69,-22.37,;37.36,-23.15,;36.02,-22.4,;36.01,-20.86,;34.66,-20.11,;33.33,-20.9,;31.99,-20.15,;30.67,-20.93,;29.32,-20.18,;29.3,-18.64,;27.96,-17.89,;30.63,-17.86,;31.97,-18.61,;33.36,-22.44,;32.04,-23.23,;34.7,-23.19,;38.67,-20.83,;39.99,-20.04,;41.33,-20.79,;42.66,-20,;42.64,-18.46,;44.01,-20.76,;44.03,-22.3,;45.37,-23.05,)| | ||
Structure |