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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK1 [574-1154] | ||
| Ligand | BDBM493087 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Enzymatic Inhibition Assay | ||
| IC50 | 0.100±n/a nM | ||
| Citation |  Bacani, GM; Chai, W; Koudriakova, T; Krawczuk, PJ; Kreutter, KD; Leonard, K; Rizzolio, MC; Seierstad, M; Smith, RC; Tichenor, MS; Venable, JD; Wang, A Imidazopyrrolopyridine as inhibitors of the JAK family of kinases US Patent US10981911 Publication Date 4/20/2021 | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Tyrosine-protein kinase JAK1 [574-1154] | |||
| Name: | Tyrosine-protein kinase JAK1 [574-1154] | ||
| Synonyms: | JAK1 | JAK1 (aa 574-1154) | JAK1A | JAK1B | JAK1_HUMAN | ||
| Type: | Protein | ||
| Mol. Mass.: | 66641.39 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P23458[574-1154] | ||
| Residue: | 581 | ||
| Sequence: |
| ||
| BDBM493087 | |||
| n/a | |||
| Name | BDBM493087 | ||
| Synonyms: | 2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-((1r,4r)-4-(hydroxymethyl)cyclohexyl)acetamide | US10981911, Example 27 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H32N6O2 | ||
| Mol. Mass. | 448.5606 | ||
| SMILES | OC[C@H]1CC[C@@H](CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:5.8,27.31,wD:24.27,2.1,(-9.44,-1.05,;-8.67,.28,;-7.13,.28,;-6.36,-1.05,;-4.82,-1.05,;-4.05,.28,;-4.82,1.62,;-6.36,1.62,;-2.51,.28,;-1.74,1.62,;-2.51,2.95,;-.2,1.62,;.57,.28,;-.06,-1.12,;1.08,-2.16,;1.07,-3.7,;2.4,-4.47,;3.74,-3.71,;5.2,-4.19,;6.12,-2.95,;5.22,-1.7,;3.75,-2.17,;2.42,-1.39,;2.11,.12,;3.19,1.2,;4.68,.81,;5.77,1.9,;5.37,3.38,;6.46,4.47,;7.95,4.07,;9.44,3.67,;3.88,3.78,;2.8,2.69,)| | ||
| Structure | 
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