Reaction Details | |||
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Target | Dual specificity protein kinase TTK | ||
Ligand | BDBM50569977 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_2110865 (CHEMBL4819715) | ||
Kd | 0.200000±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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BDBM50569977 | |||
n/a | |||
Name | BDBM50569977 | ||
Synonyms: | CHEMBL4846040 | ||
Type | Small organic molecule | ||
Emp. Form. | C31H43N7O3 | ||
Mol. Mass. | 561.7182 | ||
SMILES | COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C(C)(C)C)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(18.61,-17.97,;19.95,-17.23,;19.98,-15.69,;18.66,-14.89,;18.68,-13.35,;20.03,-12.61,;21.35,-13.4,;21.33,-14.94,;22.64,-15.73,;23.99,-14.99,;24.02,-13.45,;25.36,-12.69,;26.69,-13.49,;28.03,-12.74,;28.06,-11.2,;29.35,-13.53,;29.33,-15.07,;30.65,-15.86,;27.98,-15.82,;27.95,-17.36,;26.61,-18.11,;26.59,-19.65,;27.9,-20.44,;29.25,-19.69,;29.27,-18.15,;27.88,-21.98,;29.2,-22.77,;29.17,-24.31,;30.54,-22.02,;29.76,-20.68,;31.31,-20.68,;31.87,-22.81,;26.66,-15.03,;25.32,-15.77,;17.36,-12.56,;16.01,-13.31,;14.7,-12.52,;14.72,-10.98,;13.4,-10.19,;16.07,-10.23,;17.39,-11.02,)| | ||
Structure |