Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM165583
Substrate
n/a
Meas. Tech.
Btk Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
0.12±n/a nM
Comments
extracted
Citation
 Liu, Q; Watterson, SH; Ahmad, S Indole carboxamide compounds US Patent  US9688629 Publication Date 6/27/2017 
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:
BDBM165583
Synonyms:
US10604504, Example 196 | US11623921, Example 196 | US9688629, 194 | US9688629, 195 | US9688629, 196 | US9802915, Example 196 | US9920031, Example 196
Type:
Small organic molecule
Emp. Form.:
C22H20FN3O2S
Mol. Mass.:
409.477
SMILES:
Cc1[nH]c2c(cc(F)c(-c3cccc4N(CCSc34)C(=O)C=C)c2c1C)C(N)=O |(-5.29,2.31,;-3.75,2.31,;-2.84,3.56,;-1.38,3.08,;-.05,3.85,;1.29,3.08,;1.29,1.54,;2.62,.77,;-.05,.77,;-.05,-.77,;-1.38,-1.54,;-1.38,-3.08,;-.05,-3.85,;1.29,-3.08,;2.62,-3.85,;3.96,-3.08,;3.96,-1.54,;2.62,-.77,;1.29,-1.54,;2.62,-5.39,;1.29,-6.16,;3.96,-6.16,;5.29,-5.39,;-1.38,1.54,;-2.84,1.06,;-3.3,-.27,;-.05,5.39,;1.29,6.16,;-1.38,6.16,)|
Structure:
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