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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Tyrosine-protein kinase BTK | ||
| Ligand | BDBM499857 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Mobility Shift Assay (MSA) Type A | ||
| IC50 | 1.70±n/a nM | ||
| Citation |  Bates, C; Eathiraj, S; Inagaki, H; Lapierre, J; Momose, T; Nakayama, K; Odagiri, T; Ota, M; Ota, Y; Shibata, Y; Tandon, M; Tsunemi, T Amino-pyrrolopyrimidinone compounds and methods of use thereof US Patent US11020398 Publication Date 6/1/2021 | ||
| 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: |
| ||
| BDBM499857 | |||
| n/a | |||
| Name | BDBM499857 | ||
| Synonyms: | (2-chloro-4-phenoxyphenyl)(4-((trans- 4-hydroxycyclohexyl)amino)-7H- pyrrolo[2,3-d]pyrimidin-5-yl)methanone | US11020398, Compound I-169 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H23ClN4O3 | ||
| Mol. Mass. | 462.928 | ||
| SMILES | O[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:4.7,wD:1.0,(-9.07,3.85,;-7.74,3.08,;-7.74,1.54,;-6.41,.77,;-5.07,1.54,;-5.07,3.08,;-6.41,3.85,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-5.07,-3.08,;-3.74,-3.85,;-2.41,-3.08,;-.94,-3.56,;-.04,-2.31,;-.94,-1.06,;-.54,.42,;-1.63,1.51,;.95,.82,;2.03,-.27,;3.52,.13,;3.92,1.62,;5.41,2.02,;6.5,.93,;6.1,-.56,;7.19,-1.65,;8.67,-1.25,;9.07,.24,;7.98,1.33,;2.83,2.71,;1.34,2.31,;.26,3.4,;-2.41,-1.54,)| | ||
| Structure | 
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