Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM378877
Substrate
n/a
Meas. Tech.
Detection of In Vitro Inhibition Activity (Enzymatic Activity)
IC50
388±n/a nM
Citation
 Liu, J; Liu, Q; Li, X; Wang, A; Wu, H; Chen, C; Wang, W; Hu, C; Zhao, Z; Wu, J; Liu, J; Yu, K; Wang, W; Wang, L; Wang, B Inhibitor of FLT3 kinase and use thereof US Patent  US10266535 Publication Date 4/23/2019 
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:
BDBM378877
Synonyms:
US10266535, Compound 76
Type:
Small organic molecule
Emp. Form.:
C27H31N7O2
Mol. Mass.:
485.5807
SMILES:
CN(C)CC(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |(5.63,-5.86,;4.54,-6.95,;4.93,-8.44,;3.05,-6.55,;1.96,-7.64,;2.36,-9.13,;.47,-7.24,;.07,-5.75,;-1.41,-5.36,;-1.81,-3.87,;-.72,-2.78,;.76,-3.18,;1.16,-4.66,;-1.49,-1.45,;-.59,-.2,;-1.49,1.05,;-.72,2.38,;.76,2.78,;1.16,4.27,;.07,5.36,;.47,6.84,;1.96,7.24,;3.05,6.15,;4.54,6.55,;4.93,8.04,;3.85,9.13,;2.36,8.73,;-1.41,4.96,;-1.81,3.47,;-2.96,.57,;-4.29,1.34,;-4.29,2.88,;-5.63,.57,;-5.63,-.97,;-4.29,-1.74,;-2.96,-.97,)|
Structure:
Search PDB for entries with ligand similarity: