Reaction Details | |||
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Target | Tyrosine-protein kinase ITK/TSK | ||
Ligand | BDBM50442148 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_993112 (CHEMBL2446687) | ||
Ki | >10000±n/a nM | ||
Citation | Alder, CM; Ambler, M; Campbell, AJ; Champigny, AC; Deakin, AM; Harling, JD; Harris, CA; Longstaff, T; Lynn, S; Maxwell, AC; Mooney, CJ; Scullion, C; Singh, OM; Smith, IE; Somers, DO; Tame, CJ; Wayne, G; Wilson, C; Woolven, JM Identification of a Novel and Selective Series of Itk Inhibitors via a Template-Hopping Strategy. ACS Med Chem Lett4:948-52 (2013) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Tyrosine-protein kinase ITK/TSK | |||
Name: | Tyrosine-protein kinase ITK/TSK | ||
Synonyms: | EMT | ITK | ITK_HUMAN | Kinase EMT | LYK | T-cell-specific kinase | Tyrosine-protein kinase ITK | Tyrosine-protein kinase ITK (ITK) | Tyrosine-protein kinase Lyk | ||
Type: | Protein | ||
Mol. Mass.: | 71839.20 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q08881 | ||
Residue: | 620 | ||
Sequence: |
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BDBM50442148 | |||
n/a | |||
Name | BDBM50442148 | ||
Synonyms: | CHEMBL2441268 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H29N5OS | ||
Mol. Mass. | 459.606 | ||
SMILES | Cc1cc2nc(Nc3cc(Cc4ccccc4)nc(N[C@H]4CC[C@H](O)CC4)n3)sc2cc1C |r,wU:23.24,wD:20.20,(13.06,-1.23,;12.47,-2.65,;10.94,-2.85,;10.35,-4.27,;8.9,-4.77,;8.93,-6.32,;7.72,-7.25,;7.75,-8.8,;6.43,-9.59,;6.45,-11.13,;5.12,-11.92,;3.79,-11.15,;3.79,-9.61,;2.46,-8.83,;1.12,-9.6,;1.12,-11.14,;2.45,-11.91,;7.8,-11.87,;9.12,-11.08,;10.46,-11.83,;11.79,-11.04,;13.13,-11.79,;14.45,-11.01,;14.43,-9.46,;15.76,-8.67,;13.09,-8.71,;11.76,-9.5,;9.09,-9.55,;10.41,-6.76,;11.28,-5.49,;12.81,-5.29,;13.4,-3.88,;14.93,-3.68,)| | ||
Structure |