Reaction Details | |||
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Target | Dual specificity protein kinase TTK | ||
Ligand | BDBM50386819 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_828454 (CHEMBL2049891) | ||
IC50 | 35±n/a nM | ||
Citation | Vijay Kumar, D; Hoarau, C; Bursavich, M; Slattum, P; Gerrish, D; Yager, K; Saunders, M; Shenderovich, M; Roth, BL; McKinnon, R; Chan, A; Cimbora, DM; Bradford, C; Reeves, L; Patton, S; Papac, DI; Williams, BL; Carlson, RO Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors. Bioorg Med Chem Lett22:4377-85 (2012) [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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BDBM50386819 | |||
n/a | |||
Name | BDBM50386819 | ||
Synonyms: | CHEMBL2047946 | ||
Type | Small organic molecule | ||
Emp. Form. | C23H32N8O | ||
Mol. Mass. | 436.5532 | ||
SMILES | Cc1cc(ccc1Nc1nc(NC2CCC(CN)CC2)c2[nH]cnc2n1)N1CCOCC1 |(40.97,-2.37,;40.98,-.83,;42.31,-.07,;42.32,1.48,;40.97,2.25,;39.65,1.48,;39.65,-.06,;38.31,-.83,;36.98,-.05,;36.98,1.49,;35.65,2.26,;35.66,3.8,;36.99,4.57,;38.33,3.79,;39.66,4.55,;39.67,6.09,;41.01,6.85,;42.34,6.07,;38.34,6.87,;37,6.1,;34.32,1.49,;32.85,1.97,;31.94,.72,;32.85,-.53,;34.32,-.05,;35.65,-.82,;43.65,2.24,;44.99,1.47,;46.32,2.23,;46.33,3.77,;44.99,4.55,;43.65,3.78,)| | ||
Structure |