Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Dual specificity protein kinase TTK | ||
Ligand | BDBM50440018 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_982223 (CHEMBL2429166) | ||
Kd | 1900±n/a nM | ||
Citation | Palmer, WS; Alam, M; Arzeno, HB; Chang, KC; Dunn, JP; Goldstein, DM; Gong, L; Goyal, B; Hermann, JC; Hogg, JH; Hsieh, G; Jahangir, A; Janson, C; Jin, S; Ursula Kammlott, R; Kuglstatter, A; Lukacs, C; Michoud, C; Niu, L; Reuter, DC; Shao, A; Silva, T; Trejo-Martin, TA; Stein, K; Tan, YC; Tivitmahaisoon, P; Tran, P; Wagner, P; Weller, P; Wu, SY Development of amino-pyrimidine inhibitors of c-Jun N-terminal kinase (JNK): kinase profiling guided optimization of a 1,2,3-benzotriazole lead. Bioorg Med Chem Lett23:1486-92 (2013) [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: |
| ||
BDBM50440018 | |||
n/a | |||
Name | BDBM50440018 | ||
Synonyms: | CHEMBL2425628 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H37N5O5S | ||
Mol. Mass. | 555.689 | ||
SMILES | CS(=O)(=O)CCCOc1cccc2n(ccc12)-c1ccnc(N[C@H]2CC[C@@H](CC2)C(=O)N2CCC(O)CC2)n1 |r,wU:23.24,wD:26.31,(28.71,-17.43,;28.01,-18.78,;27.59,-20.26,;29.41,-19.4,;26.53,-18.36,;26.13,-16.88,;24.65,-16.47,;24.27,-14.99,;22.78,-14.58,;21.71,-15.67,;20.2,-15.25,;19.81,-13.8,;20.9,-12.71,;20.81,-11.17,;22.23,-10.62,;23.2,-11.81,;22.38,-13.1,;19.48,-10.41,;19.47,-8.86,;18.15,-8.1,;16.81,-8.87,;16.81,-10.41,;15.47,-11.19,;14.13,-10.42,;12.8,-11.2,;11.46,-10.44,;11.44,-8.89,;12.79,-8.11,;14.12,-8.88,;10.09,-8.13,;10.08,-6.58,;8.76,-8.89,;7.43,-8.12,;6.1,-8.9,;6.1,-10.44,;4.77,-11.21,;7.43,-11.21,;8.76,-10.44,;18.15,-11.18,)| | ||
Structure |