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Target
Tyrosine-protein kinase BTK
Ligand
BDBM435450
Substrate
n/a
Meas. Tech.
Lanthscreen Eu Kinase Binding assay
IC50
5.20±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:
BDBM435450
Synonyms:
US10570118, Example 5
Type:
Small organic molecule
Emp. Form.:
C32H29N3O4
Mol. Mass.:
519.5904
SMILES:
NC(=O)c1cccc(c1)-c1cccc(c1CO)-n1c(cc2cc(ccc2c1=O)C1CC1)C1CN(C1)C(=O)C=C |(-5.11,7.92,;-6.44,7.15,;-7.78,7.92,;-6.44,5.61,;-7.78,4.84,;-7.78,3.3,;-6.44,2.53,;-5.11,3.3,;-5.11,4.84,;-4.34,1.97,;-5.11,.63,;-4.34,-.7,;-2.8,-.7,;-2.03,.63,;-2.8,1.97,;-2.03,3.3,;-2.8,4.63,;-.49,.63,;.28,-.7,;1.82,-.7,;2.59,.63,;4.13,.63,;4.9,1.97,;4.13,3.3,;2.59,3.3,;1.82,1.97,;.28,1.97,;-.49,3.3,;6.44,1.97,;7.78,1.2,;7.78,2.74,;-.49,-2.03,;-1.98,-2.43,;-1.58,-3.92,;-.09,-3.52,;-2.35,-5.25,;-3.89,-5.25,;-1.58,-6.59,;-2.35,-7.92,)|
Structure:
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