Reaction Details | |||
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Target | Dual specificity protein kinase TTK | ||
Ligand | BDBM50512456 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_1849016 (CHEMBL4349557) | ||
IC50 | 1.2±n/a nM | ||
Citation | Wang, S; Zhang, M; Liang, D; Sun, W; Zhang, C; Jiang, M; Liu, J; Li, J; Li, C; Yang, X; Zhou, X Molecular design and anticancer activities of small-molecule monopolar spindle 1 inhibitors: A Medicinal chemistry perspective. Eur J Med Chem175:247-268 (2019) [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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BDBM50512456 | |||
n/a | |||
Name | BDBM50512456 | ||
Synonyms: | CHEMBL4469414 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H30N6O3 | ||
Mol. Mass. | 498.5762 | ||
SMILES | Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:20.21,22.25,(48.46,-32.37,;49.53,-31.26,;49.1,-29.78,;50.17,-28.67,;51.66,-29.03,;52.09,-30.5,;51.03,-31.63,;51.46,-33.1,;50.39,-34.22,;52.95,-33.47,;54.02,-32.36,;55.49,-31.92,;54.38,-30.85,;49.74,-27.2,;50.69,-25.98,;49.82,-24.7,;48.34,-25.14,;47.04,-24.33,;47.09,-22.79,;45.78,-21.98,;44.42,-22.71,;43.98,-24.18,;42.51,-23.74,;41.01,-23.33,;41.41,-24.82,;42.95,-22.26,;45.69,-25.06,;45.64,-26.6,;44.29,-27.33,;44.25,-28.87,;42.89,-29.59,;42.85,-31.13,;44.16,-31.94,;45.52,-31.2,;45.56,-29.66,;46.95,-27.4,;48.29,-26.68,)| | ||
Structure |