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Target
Tyrosine-protein kinase BTK
Ligand
BDBM435458
Substrate
n/a
Meas. Tech.
Lanthscreen Eu Kinase Binding assay
IC50
2.40±n/a nM
Citation
 Bosanac, T; Bentzien, J; Burke, MJ; DiSalvo, DT; Mao, W; Soleymanzadeh, F; Westbrook, JA; Xiong, Z Isoquinolones as BTK inhibitors US Patent  US10570118 Publication Date 2/25/2020 
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:
BDBM435458
Synonyms:
US10570118, Example 13
Type:
Small organic molecule
Emp. Form.:
C32H32N4O4
Mol. Mass.:
536.6209
SMILES:
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CCN(C1)C(=O)C=C |(-4.87,7.55,;-4.87,6.01,;-3.62,5.11,;-4.1,3.65,;-5.64,3.65,;-6.12,5.11,;-7.45,5.88,;-7.45,7.42,;-8.78,5.11,;-3.33,2.31,;-4.1,.98,;-3.33,-.36,;-1.79,-.36,;-1.02,.98,;-1.79,2.31,;-1.02,3.65,;-1.79,4.98,;.52,.98,;1.29,-.36,;2.83,-.36,;3.6,.98,;5.14,.98,;5.91,2.31,;5.14,3.65,;3.6,3.65,;2.83,2.31,;1.29,2.31,;.52,3.65,;7.45,2.31,;8.78,1.54,;8.78,3.08,;.52,-1.69,;-.94,-2.17,;-.94,-3.71,;.52,-4.18,;1.43,-2.94,;.92,-5.67,;-.17,-6.76,;2.41,-6.07,;2.8,-7.55,)|
Structure:
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