Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase ITK/TSK | ||
| Ligand | BDBM50442153 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_993112 (CHEMBL2446687) | ||
| Ki | 63±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: |
| ||
| BDBM50442153 | |||
| n/a | |||
| Name | BDBM50442153 | ||
| Synonyms: | CHEMBL2441283 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H26F3N5OS | ||
| Mol. Mass. | 525.588 | ||
| SMILES | O[C@H]1CC[C@@H](CC1)Nc1nc(Nc2ncc(Cc3ccccc3)s2)cc(n1)C(F)(F)c1ccc(F)cc1 |r,wU:1.0,wD:4.7,(16.64,-34.58,;16.67,-33.04,;15.34,-32.24,;15.37,-30.7,;16.72,-29.96,;18.04,-30.75,;18.01,-32.29,;16.75,-28.42,;15.43,-27.62,;15.46,-26.08,;14.14,-25.29,;14.17,-23.75,;15.51,-23,;15.7,-21.49,;17.21,-21.19,;17.96,-22.54,;19.49,-22.73,;20.42,-21.5,;21.94,-21.69,;22.87,-20.46,;22.27,-19.04,;20.73,-18.86,;19.81,-20.09,;16.91,-23.66,;12.79,-26.03,;12.76,-27.57,;14.08,-28.37,;11.42,-28.31,;10.23,-29.3,;12.4,-29.5,;10.05,-27.6,;8.75,-28.44,;7.38,-27.73,;7.31,-26.19,;5.94,-25.48,;8.61,-25.36,;9.97,-26.06,)| | ||
| Structure | 
| ||