| Reaction Details |
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 | Report a problem with these data |
| Target | Tyrosine-protein kinase BTK |
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| Ligand | BDBM50357312 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1644049 (CHEMBL3992978) |
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| IC50 | 0.340000±n/a nM |
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| Citation |  Zhao, D; Huang, S; Qu, M; Wang, C; Liu, Z; Li, Z; Peng, J; Liu, K; Li, Y; Ma, X; Shu, X Structural optimization of diphenylpyrimidine derivatives (DPPYs) as potent Bruton's tyrosine kinase (BTK) inhibitors with improved activity toward B leukemia cell lines. Eur J Med Chem126:444-455 (2017) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Tyrosine-protein kinase BTK |
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| Name: | Tyrosine-protein kinase BTK |
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| 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) |
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| Type: | Enzyme |
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| Mol. Mass.: | 76289.95 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q06187 |
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| Residue: | 659 |
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| Sequence: | MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEK
ITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEEL
RKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSS
HRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDE
YFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGK
EGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELIN
YHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGK
WRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANG
CLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDF
GLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYER
FTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
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| BDBM50357312 |
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| n/a |
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| Name | BDBM50357312 |
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| Synonyms: | IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compound 1 | US10711006, Compound Ibrutinib | US10793575, Example ibrutinib | US10835536, Ref. Ex. Comp 1 | US10919899, Ibrutinib | US11078206, Example Ibrutinib | US11186578, Example Ibrutinib | US11339167, Example Ibrutinib | US11407754, Example Ibrutinib | US20230364079, Example Ibrutinib | US9108973, Ref 1 | US9181263, 1 | US9278100, 1 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H24N6O2 |
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| Mol. Mass. | 440.4971 |
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| SMILES | Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C |
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| Structure | 
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