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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase BTK | ||
| Ligand | BDBM174578 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Enzymatic Activity Assay | ||
| Temperature | 298.15±n/a K | ||
| IC50 | 4.90±n/a nM | ||
| Comments | extracted | ||
| Citation |  Owens, TD Tyrosine kinase inhibitors US Patent US9688676 Publication Date 6/27/2017 | ||
| 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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| BDBM174578 | |||
| n/a | |||
| Name | BDBM174578 | ||
| Synonyms: | US9688676, 27 (R)-2-(3-(4-amino-3-(2-fluoro-4-phenoxyphenyl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-1-yl)piperidine-1-carbonyl)-4-methyl-4-(4-(oxetan-3-yl)piperazin-1-yl)pent-2-enenitrile | ||
| Type | Small organic molecule | ||
| Emp. Form. | C37H41FN8O4 | ||
| Mol. Mass. | 680.771 | ||
| SMILES | CC(C)(C=C(C#N)C(=O)N1CCC[C@H](C1)n1c2ccnc(N)c2n(-c2ccc(Oc3ccccc3)cc2F)c1=O)N1CCN(CC1)C1COC1 |r,w:3.2,wD:13.15,(-3.81,-5.57,;-4.96,-6.6,;-6.1,-7.63,;-3.93,-7.74,;-2.42,-7.42,;-1.39,-8.57,;-.36,-9.71,;-1.94,-5.96,;-2.97,-4.81,;-.44,-5.64,;.59,-6.78,;2.1,-6.46,;2.58,-5,;1.54,-3.85,;.04,-4.17,;2.02,-2.39,;3.49,-1.91,;4.82,-2.68,;6.15,-1.91,;6.15,-.37,;4.82,.4,;4.82,1.94,;3.49,-.37,;2.02,.11,;1.54,1.57,;2.58,2.71,;2.1,4.18,;.59,4.5,;.12,5.96,;1.15,7.11,;.67,8.57,;1.7,9.72,;3.21,9.4,;3.68,7.93,;2.65,6.79,;-.44,3.35,;.04,1.89,;-.99,.75,;1.12,-1.14,;-.42,-1.14,;-5.99,-5.45,;-7.49,-5.77,;-8.52,-4.63,;-8.05,-3.16,;-6.54,-2.84,;-5.51,-3.99,;-9.08,-2.02,;-10.62,-1.94,;-10.54,-.4,;-9,-.48,)| | ||
| Structure | 
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