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Target
Tyrosine-protein kinase BTK
Ligand
BDBM394243
Substrate
n/a
Meas. Tech.
Lanthscreen Eu Kinase Binding Assay
IC50
0.700±n/a nM
Citation
 Bosanac, T; Bentzien, J; Burke, MJ; Fryer, RM; Larson, ET; Mao, W; McKibben, BP; Shen, Y; Soleymanzadeh, F; Tschantz, MA Heteroaromatic compounds as BTK inhibitors US Patent  US9975882 Publication Date 5/22/2018 
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:
BDBM394243
Synonyms:
US9975882, Example 34
Type:
Small organic molecule
Emp. Form.:
C26H28ClN7O2
Mol. Mass.:
505.999
SMILES:
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cn(Cc4cccc(Cl)c4)nc3C)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-4.33,-8.75,;-3.56,-7.41,;-2.79,-6.08,;-2.02,-4.75,;-.48,-4.75,;-2.79,-3.41,;-4.33,-3.41,;-4.8,-1.95,;-3.56,-1.04,;-2.47,.05,;-3.56,1.13,;-4.65,.05,;-3.56,2.67,;-2.31,3.58,;-2.79,5.04,;-2.02,6.38,;-.48,6.38,;-0,7.84,;1.49,8.24,;2.57,7.15,;2.18,5.66,;3.26,4.58,;4.75,4.97,;5.15,6.46,;6.64,6.86,;4.06,7.55,;-1.25,8.75,;-2.49,7.84,;-3.83,8.61,;-4.33,5.04,;-5.1,6.38,;-4.33,7.71,;-6.64,6.38,;-4.8,3.58,;-6.14,2.81,;-2.31,-1.95,)|
Structure:
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