Reaction Details | |||
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Target | Tyrosine-protein kinase JAK1 | ||
Ligand | BDBM387823 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Enzymatic Inhibition Assay | ||
IC50 | 0.100±n/a nM | ||
Citation | Koudriakova, T; Kreutter, KD; Leonard, K; Rizzolio, MC; Smith, RC; Tichenor, MS; Wang, A Small molecule inhibitors of the JAK family of kinases US Patent US10294226 Publication Date 5/21/2019 | ||
More Info.: | Get all data from this article, Assay Method | ||
Tyrosine-protein kinase JAK1 | |||
Name: | Tyrosine-protein kinase JAK1 | ||
Synonyms: | JAK-1 | JAK1 | JAK1A | JAK1B | JAK1_HUMAN | Janus kinase 1 | Janus kinase 1 (JAK1) | Janus kinase 1 JAK1 | ||
Type: | Protein | ||
Mol. Mass.: | 133293.73 | ||
Organism: | Homo sapiens (Human) | ||
Description: | P23458 | ||
Residue: | 1154 | ||
Sequence: |
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BDBM387823 | |||
n/a | |||
Name | BDBM387823 | ||
Synonyms: | 2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)acetamide | US10294226, Compound Ex. 6 | US10487083, Example 6 | US10981911, Example 10 | US11059823, Example 6 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H30N6O2 | ||
Mol. Mass. | 434.534 | ||
SMILES | O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCC1CCOCC1 |r,wU:18.21,wD:15.17,(-3.56,-.96,;-2.79,.37,;-1.25,.37,;-.48,-.96,;-1.11,-2.37,;.04,-3.4,;.04,-4.94,;1.37,-5.71,;2.7,-4.94,;4.17,-5.41,;5.07,-4.17,;4.17,-2.92,;2.7,-3.4,;1.37,-2.63,;1.05,-1.12,;2.08,.02,;3.59,-.3,;4.62,.85,;4.14,2.31,;5.17,3.46,;6.68,3.14,;8.18,2.82,;2.63,2.63,;1.6,1.49,;-3.56,1.71,;-5.1,1.71,;-5.87,3.04,;-5.1,4.37,;-5.87,5.71,;-7.41,5.71,;-8.18,4.37,;-7.41,3.04,)| | ||
Structure |