Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM50068595
Substrate
n/a
Meas. Tech.
ChEMBL_1466554 (CHEMBL3407011)
IC50
350±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:
BDBM50068595
Synonyms:
CHEMBL3402356
Type:
Small organic molecule
Emp. Form.:
C56H51N7O9S
Mol. Mass.:
998.111
SMILES:
Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cn(C)c(=O)c(Nc2ccc(cc2)C(=O)N2CCOC(CNC(=S)Nc3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)C2)n1 |(-1.21,-23.53,;-1.21,-22.3,;-2.54,-21.53,;-3.88,-22.29,;-5.21,-21.52,;-5.21,-20.29,;-6.55,-22.28,;-7.88,-21.51,;-9.22,-22.28,;-9.22,-23.82,;-7.89,-24.59,;-6.55,-23.82,;-10.56,-24.59,;-11.62,-23.97,;-10.56,-25.82,;-11.62,-25.2,;-2.54,-19.99,;-1.21,-19.22,;.13,-19.99,;.12,-21.53,;1.46,-22.3,;1.46,-23.84,;2.79,-24.61,;2.79,-25.84,;4.12,-23.84,;5.19,-24.46,;4.12,-22.3,;5.46,-21.53,;5.46,-19.99,;6.79,-19.21,;6.78,-17.67,;5.44,-16.91,;4.11,-17.68,;4.12,-19.22,;5.44,-15.37,;6.5,-14.75,;4.1,-14.6,;2.77,-15.38,;1.43,-14.62,;1.42,-13.08,;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,;4.09,-13.06,;2.79,-21.53,)|
Structure:
Search PDB for entries with ligand similarity: