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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK1 [574-1154] | ||
| Ligand | BDBM493131 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Enzymatic Inhibition Assay | ||
| IC50 | 0.200±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: |
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| BDBM493131 | |||
| n/a | |||
| Name | BDBM493131 | ||
| Synonyms: | 2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-(2-methoxy-2-methylpropyl)acetamide | US10981911, Example 71 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C23H30N6O2 | ||
| Mol. Mass. | 422.5233 | ||
| SMILES | COC(C)(C)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:25.28,wD:22.24,(-8.17,2.3,;-7.4,3.63,;-5.86,3.63,;-6.26,5.12,;-4.53,4.4,;-5.09,2.3,;-3.55,2.3,;-2.78,.96,;-3.55,-.37,;-1.24,.96,;-.47,-.37,;-1.1,-1.78,;.04,-2.81,;.04,-4.35,;1.38,-5.12,;2.71,-4.35,;4.18,-4.82,;5.08,-3.58,;4.18,-2.33,;2.71,-2.81,;1.38,-2.04,;1.06,-.53,;2.09,.61,;3.59,.29,;4.63,1.44,;4.15,2.9,;5.18,4.05,;6.69,3.73,;8.17,3.41,;2.64,3.22,;1.61,2.08,)| | ||
| Structure | 
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