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Target
Tyrosine-protein kinase BTK
Ligand
BDBM291404
Substrate
n/a
Meas. Tech.
BTK IC50 Enzyme Assay
IC50
<100±n/a nM
Citation
 Hodous, BL; Liu-Bujalski, L; Jones, R; Bankston, D; Johnson, TL; Mochalkin, I; Nguyen, N; Qiu, H; Goutopoulos, A; Brugger, N Compositions and methods for the production of pyrimidine and pyridine compounds with BTK inhibitory activity US Patent  US10413562 Publication Date 9/17/2019 
Target
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:
MAAVILESIFLKRSQQKKKTSPLNFKKRLFLLTVHKLSYYEYDFERGRRGSKKGSIDVEKITCVETVVPEKNPPPERQIPRRGEESSEMEQISIIERFPYPFQVVYDEGPLYVFSPTEELRKRWIHQLKNVIRYNSDLVQKYHPCFWIDGQYLCCSQTAKNAMGCQILENRNGSLKPGSSHRKTKKPLPPTPEEDQILKKPLPPEPAAAPVSTSELKKVVALYDYMPMNANDLQLRKGDEYFILEESNLPWWRARDKNGQEGYIPSNYVTEAEDSIEMYEWYSKHMTRSQAEQLLKQEGKEGGFIVRDSSKAGKYTVSVFAKSTGDPQGVIRHYVVCSTPQSQYYLAEKHLFSTIPELINYHQHNSAGLISRLKYPVSQQNKNAPSTAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
  
Inhibitor
Name:
BDBM291404
Synonyms:
1-(2-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)amino)-6-azaspiro[3.4]octan-6-yl)prop-2-yn-1-one | US10413562, Compound A115 | US9580449, Example A115
Type:
Small organic molecule
Emp. Form.:
C26H25N5O2
Mol. Mass.:
439.509
SMILES:
Nc1ncnc(NC2CC3(C2)CCN(C3)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1 |(1.55,-5.46,;.21,-4.69,;-1.12,-5.46,;-2.45,-4.69,;-2.45,-3.15,;-1.12,-2.38,;-1.12,-.84,;-2.45,-.07,;-2.85,1.42,;-4.34,1.02,;-3.94,-.47,;-5.8,.54,;-6.71,1.79,;-5.8,3.04,;-4.34,2.56,;-6.57,4.37,;-5.49,5.46,;-8.06,4.77,;-9.55,5.17,;.21,-3.15,;1.55,-2.38,;2.88,-3.15,;4.21,-2.38,;4.21,-.84,;5.55,-.07,;6.88,-.84,;6.88,-2.38,;8.22,-3.15,;9.55,-2.38,;9.55,-.84,;8.22,-.07,;2.88,-.07,;1.55,-.84,)|
Structure:
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