Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM260548
Substrate
n/a
Meas. Tech.
HTRF Assay
Temperature
298.15±n/a K
IC50
50±n/a nM
Comments
extracted
Citation
 He, W Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors US Patent  US9532990 Publication Date 1/3/2017 
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:
BDBM260548
Synonyms:
US10300066, Compound 22 | US9532990, 22
Type:
Small organic molecule
Emp. Form.:
C26H21F5N6O2
Mol. Mass.:
544.476
SMILES:
Nc1ncnc2n(nc(-c3ccc(Oc4c(F)c(F)cc(F)c4F)cc3F)c12)[C@@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:28.31,31.38,(4.07,-5.93,;5.16,-4.84,;6.69,-5,;7.6,-3.76,;6.97,-2.35,;5.44,-2.19,;4.54,-.95,;3.07,-1.42,;3.07,-2.96,;1.74,-3.73,;1.74,-5.27,;.4,-6.04,;-.93,-5.27,;-2.26,-6.04,;-3.6,-5.27,;-3.6,-3.73,;-2.26,-2.96,;-4.93,-2.96,;-4.93,-1.42,;-6.26,-3.73,;-6.26,-5.27,;-7.6,-6.04,;-4.93,-6.04,;-4.93,-7.58,;-.93,-3.73,;.4,-2.96,;.4,-1.42,;4.54,-3.44,;4.93,.54,;6.42,.94,;6.82,2.43,;5.73,3.52,;4.24,3.12,;3.85,1.63,;6.13,5,;5.04,6.09,;5.44,7.58,;3.55,5.7,;2.46,6.78,)|
Structure:
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