Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase JAK1 [574-1154] | ||
| Ligand | BDBM493065 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Enzymatic Inhibition Assay | ||
| IC50 | <0.1±n/a nM | ||
| Comments | Zero 12/22/2021 | ||
| 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: |
| ||
| BDBM493065 | |||
| n/a | |||
| Name | BDBM493065 | ||
| Synonyms: | 2-((1r,4r)-4-(2-(2-Oxo-2-(4-(trifluoromethyl)piperidin-1-yl)ethyl)imidazo[4,5-d]pyrrolo[2,3-b]pyridin-1(6H)-yl)cyclohexyl)acetonitrile | US10981911, Example 6 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C24H27F3N6O | ||
| Mol. Mass. | 472.506 | ||
| SMILES | FC(F)(F)C1CCN(CC1)C(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:28.32,wD:25.28,(-7.9,-3.43,;-6.36,-3.43,;-5.59,-4.76,;-7.13,-4.76,;-5.59,-2.1,;-6.36,-.76,;-5.59,.57,;-4.05,.57,;-3.28,-.76,;-4.05,-2.1,;-3.28,1.9,;-4.05,3.24,;-1.74,1.9,;-.97,.57,;-1.59,-.84,;-.45,-1.87,;-.45,-3.41,;.89,-4.18,;2.22,-3.41,;3.68,-3.88,;4.59,-2.64,;3.68,-1.39,;2.22,-1.87,;.89,-1.1,;.57,.41,;1.65,1.5,;3.14,1.1,;4.23,2.19,;3.83,3.68,;4.92,4.76,;6.41,4.37,;7.9,3.97,;2.34,4.07,;1.26,2.99,)| | ||
| Structure | 
| ||