Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Tyrosine-protein kinase BTK | ||
Ligand | BDBM303586 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | BTK Assay | ||
IC50 | 0.700±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: |
| ||
BDBM303586 | |||
n/a | |||
Name | BDBM303586 | ||
Synonyms: | US10138229, Example 98 | US10875852, Example 98 | ||
Type | Small organic molecule | ||
Emp. Form. | C29H34N6O3 | ||
Mol. Mass. | 514.6187 | ||
SMILES | CN(C)C\C=C\C(=O)N1CC[C@]2(C[C@@H](C2)n2nc(c(C(N)=O)c2N)-c2ccc(Oc3ccccc3)cc2)C1 |r,wU:13.15,11.40,wD:11.10,(7.28,-7.01,;5.95,-7.78,;5.95,-9.32,;4.61,-7.01,;3.28,-7.78,;1.95,-7.01,;.61,-7.78,;.61,-9.32,;-.72,-7.01,;-2.19,-7.49,;-3.09,-6.24,;-2.19,-5,;-1.42,-3.66,;-2.75,-2.89,;-3.52,-4.23,;-3.15,-1.4,;-2.24,-.16,;-3.15,1.09,;-4.61,.61,;-5.95,1.38,;-5.95,2.92,;-7.28,.61,;-4.61,-.93,;-5.95,-1.7,;-2.75,2.57,;-1.26,2.97,;-.86,4.46,;-1.95,5.55,;-1.55,7.04,;-.07,7.44,;1.02,6.35,;2.51,6.75,;2.91,8.23,;1.82,9.32,;.33,8.92,;-3.44,5.15,;-3.84,3.66,;-.72,-5.47,)| | ||
Structure |