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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase ITK/TSK | ||
| Ligand | BDBM50442143 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_993112 (CHEMBL2446687) | ||
| Ki | 0.251000±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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| BDBM50442143 | |||
| n/a | |||
| Name | BDBM50442143 | ||
| Synonyms: | CHEMBL2441274 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H24N6OS | ||
| Mol. Mass. | 456.563 | ||
| SMILES | O[C@H]1CC[C@@H](CC1)Nc1nc(Cc2ccccc2)cc(Nc2nc3ccc(cc3s2)C#N)n1 |r,wU:1.0,wD:4.7,(23.68,-13.98,;22.35,-14.78,;22.37,-16.32,;21.05,-17.1,;19.71,-16.35,;19.69,-14.81,;21.01,-14.02,;18.39,-17.14,;17.04,-16.39,;15.72,-17.18,;14.38,-16.44,;13.04,-17.23,;11.71,-16.46,;11.71,-14.92,;10.38,-14.14,;9.04,-14.92,;9.04,-16.46,;10.38,-17.22,;14.35,-14.9,;15.67,-14.1,;15.65,-12.56,;16.85,-11.63,;16.82,-10.09,;18.27,-9.58,;18.87,-8.16,;20.4,-7.96,;21.33,-9.19,;20.73,-10.61,;19.2,-10.8,;18.33,-12.08,;22.85,-8.99,;24.37,-8.8,;17.02,-14.86,)| | ||
| Structure | 
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