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Target
Tyrosine-protein kinase BTK
Ligand
BDBM435447
Substrate
n/a
Meas. Tech.
Lanthscreen Eu Kinase Binding assay
IC50
4.00±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:
BDBM435447
Synonyms:
US10570118, Example 2
Type:
Small organic molecule
Emp. Form.:
C32H32N4O4
Mol. Mass.:
536.6209
SMILES:
Cn1cc(cc1C(N)=O)-c1cccc(c1CO)-n1c(CC2CN(C2)C(=O)C=C)cc2cc(ccc2c1=O)C1CC1 |(-6.17,4,;-5.4,2.66,;-3.94,2.19,;-3.94,.65,;-5.4,.17,;-6.31,1.42,;-7.85,1.42,;-8.62,2.75,;-8.62,.08,;-2.6,-.12,;-2.6,-1.66,;-1.27,-2.43,;.06,-1.66,;.06,-.12,;-1.27,.65,;-1.27,2.19,;-2.6,2.96,;1.4,.65,;2.73,-.12,;2.73,-1.66,;4.06,-2.43,;4.46,-3.92,;5.95,-3.52,;5.55,-2.03,;7.28,-4.29,;8.62,-3.52,;7.28,-5.83,;8.62,-6.6,;4.06,.65,;4.06,2.19,;5.4,2.96,;5.4,4.5,;4.06,5.27,;2.73,4.5,;2.73,2.96,;1.4,2.19,;.06,2.96,;6.73,5.27,;8.27,5.27,;7.5,6.6,)|
Structure:
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