Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM260540
Substrate
n/a
Meas. Tech.
Inhibition Assay of BTK Kinase Activity
IC50
9.00±n/a nM
Citation
 He, W Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors US Patent  US10300066 Publication Date 5/28/2019 
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:
BDBM260540
Synonyms:
US10300066, Compound 14 | US9532990, 14
Type:
Small organic molecule
Emp. Form.:
C26H24F2N6O2
Mol. Mass.:
490.5046
SMILES:
Nc1ncnc2n(nc(-c3ccc(Oc4cccc(F)c4)cc3F)c12)[C@H]1CC[C@@H](CC1)NC(=O)C=C |r,wU:25.28,wD:28.35,(3.41,-6.7,;4.49,-5.61,;6.03,-5.77,;6.93,-4.53,;6.31,-3.12,;4.77,-2.96,;3.87,-1.72,;2.4,-2.19,;2.4,-3.73,;1.07,-4.5,;1.07,-6.04,;-.26,-6.81,;-1.6,-6.04,;-2.93,-6.81,;-4.26,-6.04,;-5.6,-6.81,;-6.93,-6.04,;-6.93,-4.5,;-5.6,-3.73,;-5.6,-2.19,;-4.26,-4.5,;-1.6,-4.5,;-.26,-3.73,;-.26,-2.19,;3.87,-4.21,;4.27,-.23,;3.18,.86,;3.58,2.35,;5.06,2.75,;6.15,1.66,;5.75,.17,;5.46,4.23,;4.37,5.32,;4.77,6.81,;2.89,4.93,;1.8,6.01,)|
Structure:
Search PDB for entries with ligand similarity: