Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM412826
Substrate
n/a
Meas. Tech.
BTKWT Binding Affinity
IC50
1.40±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:
BDBM412826
Synonyms:
N-[[4-[4-amino-1-(4-methoxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methoxy-benzamid | US10399989, Example 39 | US10611766, Example 39
Type:
Small organic molecule
Emp. Form.:
C27H30N6O3
Mol. Mass.:
486.5655
SMILES:
COC1CCC(CC1)n1nc(-c2ccc(CNC(=O)c3ccccc3OC)cc2)c2c(N)ncnc12 |(1.19,-9.88,;-.3,-9.48,;-.7,-7.99,;-2.2,-7.54,;-2.6,-6.05,;-1.51,-4.96,;-.02,-5.36,;.38,-6.85,;-1.91,-3.48,;-1,-2.23,;-1.91,-.99,;-1.51,.5,;-.02,.9,;.38,2.39,;-.71,3.48,;-.31,4.96,;1.18,5.36,;1.57,6.85,;.49,7.94,;3.06,7.25,;4.15,6.16,;5.64,6.56,;6.04,8.05,;4.95,9.14,;3.46,8.74,;2.37,9.83,;3.02,11.22,;-2.2,3.08,;-2.6,1.59,;-3.37,-1.46,;-4.7,-.69,;-4.7,.85,;-6.04,-1.46,;-6.04,-3,;-4.7,-3.77,;-3.37,-3,)|
Structure:
Search PDB for entries with ligand similarity: