Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM111982
Substrate
n/a
Meas. Tech.
Biochemical Assay
pH
7.5±0
IC50
2.2±0 nM
Citation
 Barbosa, AJ; Blomgren, PA; Currie, KS; Krishnamoorthy, R; Kropf, JE; Lee, SH; Mitchell, SA; Ortwine, D; Schmitt, AC; Wang, X; Xu, J; Young, W; Zhang, H; Zhao, Z; Zhichkin, PE Pyridone and aza-pyridone compounds and methods of use US Patent  US8618107 Publication Date 12/31/2013 
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:
BDBM111982
Synonyms:
US8618107, 295
Type:
Small organic molecule
Emp. Form.:
C36H40FN5O3S
Mol. Mass.:
641.798
SMILES:
CN1CCC(CC1)c1ccc(Nc2cc(cn(C)c2=O)-c2cc(F)cc(N3CCc4c5CC(C)(C)Cc5sc4C3=O)c2CO)nc1
Structure:
Search PDB for entries with ligand similarity: