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Target
Tyrosine-protein kinase BTK
Ligand
BDBM111990
Substrate
n/a
Meas. Tech.
Biochemical Assay
pH
7.5±0
IC50
4.9±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:
BDBM111990
Synonyms:
US8618107, 303
Type:
Small organic molecule
Emp. Form.:
C37H40FN5O4S
Mol. Mass.:
669.808
SMILES:
Cn1cc(cc(Nc2ccc(cn2)C2CCN(CC2)C2COC2)c1=O)-c1cc(F)cc(N2CCc3c4CCCCc4sc3C2=O)c1CO
Structure:
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