Reaction Details | |||
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Target | Tyrosine-protein kinase JAK1 | ||
Ligand | BDBM391334 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Biochemical HTRF Assay | ||
IC50 | 0.050±n/a nM | ||
Citation | Childers, ML; Fuller, P; Guerin, D; Katz, JD; Pu, Q; Scott, ME; Thompson, CF; Martinez, M; Falcone, D; Torres, L; Deng, Y; Kurukulasuriya, R; Zeng, H; Bai, Y; Kong, N; Liu, Y; Zheng, Z Geminally substituted cyanoethylpyrazolo pyridones as Janus kinase inhibitors US Patent US9957264 Publication Date 5/1/2018 | ||
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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BDBM391334 | |||
n/a | |||
Name | BDBM391334 | ||
Synonyms: | Trans 2-(1-(3-((4- ((difluoromethyl)sulfonyl) phenyl)amino)-4-oxo-4,5- dihydro-1H-pyrazolo [4,3-c]pyridin-1- yl)-4-(3-fluoroazetidin-1- yl)cyclohexyl)acetonitrile | US9957264, Example 18-28 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H25F3N6O3S | ||
Mol. Mass. | 534.554 | ||
SMILES | FC(F)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CC[C@@H](CC2)N2CC(F)C2)cc1 |r,wU:27.32,wD:21.22,(-6.74,-6.02,;-6.27,-4.55,;-7.3,-3.41,;-4.76,-4.23,;-5.08,-2.73,;-4.44,-5.74,;-3.25,-3.91,;-2.22,-5.06,;-.72,-4.74,;-.24,-3.27,;1.27,-2.95,;1.74,-1.49,;.84,-.24,;1.74,1,;3.21,.53,;4.54,1.3,;5.87,.53,;5.87,-1.01,;4.54,-1.78,;4.54,-3.32,;3.21,-1.01,;1.27,2.47,;2.79,2.68,;3.37,4.11,;3.94,5.54,;1.32,4.01,;.01,4.82,;-1.35,4.1,;-1.4,2.56,;-.09,1.74,;-2.65,4.92,;-4.15,4.57,;-4.5,6.07,;-5.81,6.89,;-3,6.42,;-1.27,-2.13,;-2.78,-2.45,)| | ||
Structure |