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Target
Tyrosine-protein kinase BTK
Ligand
BDBM394220
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:
BDBM394220
Synonyms:
US9975882, Example 11
Type:
Small organic molecule
Emp. Form.:
C26H26N8O2
Mol. Mass.:
482.537
SMILES:
CC#CC(=O)N1CC[C@@]2(C[C@@H](C2)n2nc(-c3cnn(Cc4ccccc4C#N)c3)c(C(N)=O)c2N)C1 |r,wU:10.12,wD:8.11,(-3.58,-9.64,;-2.81,-8.3,;-2.04,-6.97,;-1.27,-5.64,;.27,-5.64,;-2.04,-4.3,;-3.58,-4.3,;-4.06,-2.84,;-2.81,-1.93,;-1.73,-.84,;-2.81,.25,;-3.9,-.84,;-2.81,1.79,;-1.57,2.69,;-2.04,4.16,;-1.27,5.49,;-1.75,6.95,;-.5,7.86,;.74,6.95,;2.23,7.35,;3.32,6.26,;2.92,4.78,;4.01,3.69,;5.5,4.09,;5.89,5.57,;4.81,6.66,;5.2,8.15,;5.6,9.64,;.27,5.49,;-3.58,4.16,;-4.35,5.49,;-5.89,5.49,;-3.58,6.82,;-4.06,2.69,;-5.39,1.92,;-1.57,-2.84,)|
Structure:
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