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Target
Tyrosine-protein kinase BTK
Ligand
BDBM291539
Substrate
n/a
Meas. Tech.
Enzyme Assay
pH
7.5±n/a
Temperature
300.15±n/a K
IC50
<100±n/a nM
Comments
extracted
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  US9580449 Publication Date 2/28/2017 
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:
BDBM291539
Synonyms:
N-((1s,4s)-4-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)amino)cyclohexyl)acrylamide | US10413562, Compound A266 | US9580449, Example A266
Type:
Small organic molecule
Emp. Form.:
C25H27N5O2
Mol. Mass.:
429.5142
SMILES:
Nc1ncnc(N[C@@H]2CC[C@@H](CC2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r,wU:7.6,10.13,(.67,-5.78,;-.67,-5,;-2,-5.78,;-3.33,-5,;-3.33,-3.47,;-2,-2.69,;-2,-1.15,;-3.33,-.38,;-3.33,1.15,;-4.67,1.93,;-6,1.15,;-6,-.38,;-4.67,-1.15,;-7.34,1.93,;-7.34,3.47,;-6,4.23,;-8.67,4.23,;-8.67,5.78,;-.67,-3.47,;.67,-2.69,;2,-3.47,;3.33,-2.69,;3.33,-1.15,;4.67,-.38,;6,-1.15,;6,-2.69,;7.34,-3.47,;8.67,-2.69,;8.67,-1.15,;7.34,-.38,;2,-.38,;.67,-1.15,)|
Structure:
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