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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase ITK/TSK | ||
| Ligand | BDBM458213 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Kinase Inhibition Assay | ||
| IC50 | 1.16±n/a nM | ||
| Citation |  Laurent, A; Morris, SJ Spirocyclic containing compounds and pharmaceutical uses thereof US Patent US10752615 Publication Date 8/25/2020 | ||
| 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: |
| ||
| BDBM458213 | |||
| n/a | |||
| Name | BDBM458213 | ||
| Synonyms: | US10752615, Compound 110 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H25N5O2S | ||
| Mol. Mass. | 483.585 | ||
| SMILES | C=CC(=O)N1CC[C@@]2(C[C@@H](C2)n2c(NC(=O)c3ccc(s3)-c3ccncc3)nc3ccccc23)C1 |r,wU:9.11,7.10,(-4.82,-6.68,;-4.42,-5.2,;-2.93,-4.8,;-1.84,-5.89,;-2.53,-3.31,;-1.07,-2.84,;-1.07,-1.3,;-2.53,-.82,;-1.76,.51,;-3.1,1.28,;-3.87,-.05,;-3.5,2.77,;-2.59,4.02,;-1.05,4.02,;-.28,5.35,;-1.05,6.68,;1.26,5.35,;2.16,6.6,;3.63,6.12,;3.63,4.58,;2.16,4.11,;4.96,3.81,;4.96,2.27,;6.3,1.5,;7.63,2.27,;7.63,3.81,;6.3,4.58,;-3.5,5.26,;-4.96,4.79,;-6.3,5.56,;-7.63,4.79,;-7.63,3.25,;-6.3,2.48,;-4.96,3.25,;-3.44,-2.07,)| | ||
| Structure | 
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