Reaction Details | |||
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Target | Tyrosine-protein kinase BTK | ||
Ligand | BDBM394267 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | Lanthscreen Eu Kinase Binding Assay | ||
IC50 | 2.60±n/a nM | ||
Citation | Bosanac, T; Bentzien, J; Burke, MJ; Fryer, RM; Larson, ET; Mao, W; McKibben, BP; Shen, Y; Soleymanzadeh, F; Tschantz, MA Heteroaromatic compounds as BTK inhibitors US Patent US9975882 Publication Date 5/22/2018 | ||
More Info.: | Get all data from this article, Assay Method | ||
Tyrosine-protein kinase BTK | |||
Name: | Tyrosine-protein kinase BTK | ||
Synonyms: | AGMX1 | ATK | Agammaglobulinaemia tyrosine kinase | Agammaglobulinemia tyrosine kinase | B cell progenitor kinase | B-cell progenitor kinase | BPK | BTK | BTK_HUMAN | Bruton tyrosine kinase | Tyrosine Kinase BTK | Tyrosine-protein kinase (BTK) | Tyrosine-protein kinase BTK (BTK) | ||
Type: | Enzyme | ||
Mol. Mass.: | 76289.95 | ||
Organism: | Homo sapiens (Human) | ||
Description: | Q06187 | ||
Residue: | 659 | ||
Sequence: |
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BDBM394267 | |||
n/a | |||
Name | BDBM394267 | ||
Synonyms: | US9975882, Example 58 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H25ClF3N7O2 | ||
Mol. Mass. | 559.971 | ||
SMILES | CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccc(Cl)c(c4)C(F)(F)F)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(3.19,-6.57,;1.7,-6.97,;.21,-7.37,;-1.28,-7.77,;-1.67,-9.25,;-2.36,-6.68,;-3.9,-6.68,;-4.38,-5.21,;-3.13,-4.31,;-2.05,-3.22,;-3.13,-2.13,;-4.22,-3.22,;-3.13,-.59,;-1.89,.31,;-2.36,1.78,;-1.59,3.11,;-.05,3.11,;.42,4.58,;-.82,5.48,;-.43,6.97,;1.06,7.37,;1.46,8.86,;2.95,9.25,;4.04,8.17,;5.52,8.56,;3.64,6.68,;2.15,6.28,;4.73,5.59,;6.21,5.99,;5.82,4.5,;4.33,4.1,;-2.07,4.58,;-3.9,1.78,;-4.67,3.11,;-3.9,4.45,;-6.21,3.11,;-4.38,.31,;-5.71,-.46,;-1.89,-5.21,)| | ||
Structure |