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Target
Tyrosine-protein kinase BTK
Ligand
BDBM412820
Substrate
n/a
Meas. Tech.
BTKWT Binding Affinity
IC50
<10±n/a nM
Citation
 Guisot, N Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer US Patent  US10611766 Publication Date 4/7/2020 
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:
BDBM412820
Synonyms:
US10399989, Example 33-isomer 2 | US10611766, Example 33-isomer 2
Type:
Small organic molecule
Emp. Form.:
C29H33N7O3
Mol. Mass.:
527.6174
SMILES:
COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CC[C@@H](CC2)C(=O)N(C)C)c2ncnc(N)c12 |r,wU:21.22,24.29,(.27,6.33,;1.48,7.28,;1.01,8.75,;2.04,9.89,;1.56,11.36,;.06,11.68,;-.97,10.53,;-.5,9.07,;-1.53,7.92,;-3.04,8.24,;-1.05,6.46,;-2.08,5.31,;-1.61,3.85,;-2.64,2.7,;-2.16,1.24,;-.66,.92,;.37,2.06,;-.1,3.53,;-.18,-.55,;-1.09,-1.79,;-.18,-3.04,;-.66,-4.5,;-2.16,-4.82,;-2.64,-6.29,;-1.61,-7.43,;-.1,-7.11,;.37,-5.65,;-2.08,-8.9,;-1.05,-10.04,;-3.59,-9.22,;-4.07,-10.68,;-4.62,-8.07,;1.28,-2.56,;2.62,-3.33,;3.95,-2.56,;3.95,-1.02,;2.62,-.25,;2.62,1.29,;1.28,-1.02,)|
Structure:
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