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Target
Tyrosine-protein kinase BTK
Ligand
BDBM324308
Substrate
n/a
Meas. Tech.
In Vitro BTK Kinase Assay
IC50
505±n/a nM
Citation
 Hopkins, BT; Ma, B; Prince, R; Marx, I; Lyssikatos, JP Inhibiting agents for bruton's tyrosine kinase US Patent  US10227341 Publication Date 3/12/2019 
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:
BDBM324308
Synonyms:
1-(tert-butyl)-N-(2-(3- hydroxycyclobutyl)-8-(2- ((1-methyl-1H-pyrazol-4- yl)amino)pyrimidin-4- yl)-2,3,4,5-tetrahydro- 1H-benzo[c]azepin-5-yl)- 1H-1,2,3-triazole-4- carboxamide | US10189829, Compound 72 | US10227341, Compound 72 | US10961237, Compound 72 | US11858926, Compound 72
Type:
Small organic molecule
Emp. Form.:
C29H36N10O2
Mol. Mass.:
556.6619
SMILES:
Cn1cc(Nc2nccc(n2)-c2ccc3C(CCN(Cc3c2)C2CC(O)C2)NC(=O)c2cn(nn2)C(C)(C)C)cn1 |(7.22,-3.73,;5.68,-3.73,;4.78,-4.98,;3.31,-4.5,;1.98,-5.27,;.65,-4.5,;-.69,-5.27,;-2.02,-4.5,;-2.02,-2.96,;-.69,-2.19,;.65,-2.96,;-.69,-.65,;.65,.12,;.65,1.66,;-.69,2.43,;-.46,3.95,;-1.51,5.08,;-3.04,4.96,;-3.91,3.69,;-3.45,2.22,;-2.02,1.66,;-2.02,.12,;-5.43,3.92,;-6.29,5.2,;-7.57,4.33,;-9.08,4.63,;-6.71,3.06,;1.01,4.4,;2.14,3.36,;1.8,1.85,;3.61,3.81,;4.86,2.9,;6.11,3.81,;5.63,5.27,;4.09,5.27,;7.59,3.41,;8.68,4.5,;7.99,1.92,;9.08,3.01,;3.31,-2.96,;4.78,-2.49,)|
Structure:
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