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Target
Tyrosine-protein kinase BTK
Ligand
BDBM50068541
Substrate
n/a
Meas. Tech.
ChEMBL_1466555 (CHEMBL3407012)
IC50
5.6±n/a nM
Citation
 Asami, T; Kawahata, W; Sawa, M TR-FRET binding assay targeting unactivated form of Bruton's tyrosine kinase. Bioorg Med Chem Lett 25:2033-6 (2015) [PubMed]  Article 
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:
BDBM50068541
Synonyms:
CHEMBL3400825
Type:
Small organic molecule
Emp. Form.:
C53H47N7O8S
Mol. Mass.:
942.047
SMILES:
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)NCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)n1 |(14.47,-12.78,;13.4,-12.18,;13.37,-10.64,;14.7,-9.85,;14.67,-8.31,;13.59,-7.71,;15.99,-7.51,;15.97,-5.97,;17.29,-5.18,;18.63,-5.93,;18.66,-7.47,;17.34,-8.26,;19.96,-5.14,;19.94,-3.91,;21.03,-5.74,;21.01,-4.51,;12.03,-9.89,;10.71,-10.68,;10.73,-12.22,;12.08,-12.97,;12.1,-14.51,;13.44,-15.26,;13.46,-16.8,;14.54,-17.41,;12.14,-17.59,;12.16,-18.82,;10.8,-16.84,;9.47,-17.63,;8.13,-16.87,;6.8,-17.66,;5.46,-16.9,;5.44,-15.36,;6.77,-14.58,;8.11,-15.33,;4.1,-14.6,;3.04,-15.23,;4.09,-13.06,;2.75,-12.3,;2.74,-10.76,;1.39,-10,;1.38,-8.46,;2.44,-7.84,;.04,-7.7,;.03,-6.16,;1.35,-5.38,;1.34,-3.84,;0,-3.08,;-1.32,-3.86,;-1.31,-5.4,;-2.66,-3.1,;-2.67,-2.07,;-3.73,-3.73,;,-1.54,;1.31,-.77,;2.67,-1.54,;4,-.77,;4,.77,;5.07,1.39,;2.67,1.54,;1.31,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-4,.77,;-5.07,1.39,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;10.78,-15.3,)|
Structure:
Search PDB for entries with ligand similarity: