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Target
Tyrosine-protein kinase BTK
Ligand
BDBM290132
Substrate
n/a
Meas. Tech.
Caliper-based kinase assay
Temperature
298.15±n/a K
IC50
1.000±n/a nM
Comments
extracted
Citation
 Babler, M; Gerritsen, ME Treatment of dry eye US Patent  US9572811 Publication Date 2/21/2017 
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:
BDBM290132
Synonyms:
(N-((1r,4r)-4-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl)-2-cyano-3-cyclopropylacrylamide | US9572811, Example 5
Type:
Small organic molecule
Emp. Form.:
C31H33N7O2
Mol. Mass.:
535.6394
SMILES:
CC(C)(C)C=C([N+]#[C-])C(=O)N[C@H]1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,w:4.3,wD:11.10,(-6.16,-11.52,;-5.68,-10.05,;-7.14,-9.58,;-4.22,-10.53,;-5.2,-8.59,;-3.7,-8.27,;-2.67,-9.41,;-1.64,-10.56,;-3.22,-6.8,;-4.25,-5.66,;-1.72,-6.48,;-1.24,-5.02,;.27,-4.7,;.74,-3.23,;-.29,-2.09,;-1.79,-2.41,;-2.27,-3.87,;.19,-.62,;-.72,.62,;.19,1.87,;-.29,3.33,;-1.79,3.65,;-2.27,5.12,;-1.24,6.26,;-1.72,7.73,;-.69,8.87,;-1.16,10.33,;-.13,11.48,;1.38,11.16,;1.85,9.69,;.82,8.55,;.27,5.94,;.74,4.48,;1.65,1.39,;2.99,2.16,;2.99,3.7,;4.32,1.39,;4.32,-.15,;2.99,-.92,;1.65,-.15,)|
Structure:
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