| Reaction Details |
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 | Report a problem with these data |
| Target | Tyrosine-protein kinase BTK |
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| Ligand | BDBM50588042 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2186311 (CHEMBL5098393) |
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| Kd | 3.0±n/a nM |
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| Citation |  Hopkins, BT; Bame, E; Bell, N; Bohnert, T; Bowden-Verhoek, JK; Bui, M; Cancilla, MT; Conlon, P; Cullen, P; Erlanson, DA; Fan, J; Fuchs-Knotts, T; Hansen, S; Heumann, S; Jenkins, TJ; Gua, C; Liu, Y; Liu, Y; Lulla, M; Marcotte, D; Marx, I; McDowell, B; Mertsching, E; Negrou, E; Romanowski, MJ; Scott, D; Silvian, L; Yang, W; Zhong, M Utilizing structure based drug design and metabolic soft spot identification to optimize the in vitro potency and in vivo pharmacokinetic properties leading to the discovery of novel reversible Bruton's tyrosine kinase inhibitors. Bioorg Med Chem44:0 (2021) [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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| BDBM50588042 |
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| n/a |
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| Name | BDBM50588042 |
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| Synonyms: | CHEMBL5205957 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H24ClFN6O |
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| Mol. Mass. | 442.917 |
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| SMILES | Fc1cc(Cl)cc(N[C@H](C2CC2)C(=O)N[C@@H]2CCCN(C2)c2ncnc3[nH]ccc23)c1 |r| |
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| Structure | 
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