Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase BTK | ||
| Ligand | BDBM303587 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | BTK Assay | ||
| IC50 | 3.20±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: |
| ||
| BDBM303587 | |||
| n/a | |||
| Name | BDBM303587 | ||
| Synonyms: | US10138229, Example 99 | US10875852, Example 99 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C31H36N6O4 | ||
| Mol. Mass. | 556.6553 | ||
| SMILES | NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1C[C@@]2(C1)CCN(C2)C(=O)\C=C\CN1CCOCC1 |r,wU:22.24,24.33,wD:24.29,(-6.61,3.31,;-6.61,1.77,;-7.95,1,;-5.28,1,;-5.28,-.54,;-6.61,-1.31,;-3.82,-1.02,;-2.91,.23,;-3.82,1.47,;-3.42,2.96,;-1.93,3.36,;-1.53,4.85,;-2.62,5.93,;-2.22,7.42,;-.73,7.82,;.36,6.73,;1.84,7.13,;2.24,8.62,;1.15,9.71,;-.33,9.31,;-4.11,5.54,;-4.51,4.05,;-3.42,-2.51,;-2.08,-3.28,;-2.85,-4.61,;-4.19,-3.84,;-3.76,-5.86,;-2.85,-7.1,;-1.39,-6.63,;-1.39,-5.09,;-.05,-7.4,;-.05,-8.94,;1.28,-6.63,;2.61,-7.4,;3.95,-6.63,;5.28,-7.4,;5.28,-8.94,;6.61,-9.71,;7.95,-8.94,;7.95,-7.4,;6.61,-6.63,)| | ||
| Structure | 
| ||