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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase ITK/TSK | ||
| Ligand | BDBM50442155 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_993112 (CHEMBL2446687) | ||
| Ki | 6.3±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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| BDBM50442155 | |||
| n/a | |||
| Name | BDBM50442155 | ||
| Synonyms: | CHEMBL2441281 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H24F3N5O | ||
| Mol. Mass. | 479.4969 | ||
| SMILES | O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2cc3ccccc3cn2)cc(n1)C(F)(F)c1ccc(F)cc1 |r,wU:1.0,wD:4.7,(43.15,-16.86,;43.18,-15.32,;41.86,-14.53,;41.89,-12.99,;43.24,-12.24,;44.55,-13.04,;44.52,-14.57,;43.27,-10.7,;41.95,-9.91,;41.97,-8.37,;40.65,-7.57,;40.68,-6.03,;41.99,-5.22,;43.35,-5.94,;44.66,-5.12,;46.01,-5.85,;47.32,-5.03,;47.26,-3.49,;45.91,-2.77,;44.61,-3.58,;43.23,-2.86,;41.93,-3.68,;39.3,-8.32,;39.28,-9.86,;40.6,-10.65,;37.93,-10.6,;36.74,-11.58,;38.91,-11.79,;36.57,-9.89,;35.27,-10.72,;33.9,-10.01,;33.83,-8.48,;32.46,-7.77,;35.13,-7.65,;36.49,-8.35,)| | ||
| Structure | 
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