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Target
Tyrosine-protein kinase BTK
Ligand
BDBM378878
Substrate
n/a
Meas. Tech.
Detection of In Vitro Inhibition Activity (Enzymatic Activity)
IC50
128±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:
BDBM378878
Synonyms:
US10266535, Compound 77
Type:
Small organic molecule
Emp. Form.:
C29H35N7O2
Mol. Mass.:
513.6339
SMILES:
CC(C)C[C@H](N)C(=O)NC1CCC(CC1)n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc12 |r,wU:4.4,(5.68,-8.93,;4.19,-9.33,;4.59,-10.81,;2.7,-8.93,;2.31,-7.44,;3.39,-6.35,;.82,-7.04,;-.27,-8.13,;.42,-5.55,;.02,-4.07,;-1.47,-3.67,;-1.87,-2.18,;-.78,-1.09,;.71,-1.49,;1.11,-2.98,;-1.55,.24,;-.64,1.49,;-1.55,2.73,;-.78,4.07,;.71,4.47,;1.11,5.95,;.02,7.04,;.42,8.53,;1.91,8.93,;3,7.84,;4.48,8.24,;4.88,9.73,;3.79,10.81,;2.31,10.42,;-1.47,6.64,;-1.87,5.16,;-3.01,2.26,;-4.35,3.03,;-4.35,4.57,;-5.68,2.26,;-5.68,.72,;-4.35,-.05,;-3.01,.72,)|
Structure:
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