Reaction Details | |||
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Target | Tyrosine-protein kinase BTK | ||
Ligand | BDBM303648 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | BTK Assay | ||
IC50 | 1.40±n/a nM | ||
Citation | Bentzien, J; Berry, AK; Bosanac, T; Burke, MJ; Disalvo, DT; Horan, JC; Liang, S; Mao, C; Mao, W; Shen, Y; Soleymanzadeh, F; Zindell, RM Heteroaromatic compounds as BTK inhibitors US Patent US10138229 Publication Date 11/27/2018 | ||
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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BDBM303648 | |||
n/a | |||
Name | BDBM303648 | ||
Synonyms: | US10138229, Example 160 | US10875852, Example 160 | ||
Type | Small organic molecule | ||
Emp. Form. | C22H22F3N5O3 | ||
Mol. Mass. | 461.437 | ||
SMILES | CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(OC(F)(F)F)cc2)C1 |r,wU:10.12,8.7,wD:8.34,(6.4,-5.09,;5.06,-5.86,;3.73,-6.63,;2.39,-7.4,;2.39,-8.94,;1.06,-6.63,;-.4,-7.1,;-1.31,-5.86,;-.4,-4.61,;-.01,-3.12,;-1.49,-2.72,;-1.89,-4.21,;-2.26,-1.39,;-1.36,-.15,;-2.26,1.1,;-3.73,.62,;-5.06,1.39,;-5.06,2.93,;-6.4,.62,;-3.73,-.92,;-5.06,-1.69,;-1.86,2.59,;-.38,2.99,;.02,4.47,;-1.07,5.56,;-.67,7.05,;.82,7.45,;1.91,6.36,;1.22,8.94,;2.31,7.85,;-2.55,5.16,;-2.95,3.68,;1.06,-5.09,)| | ||
Structure |