Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM467370
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
12.6±n/a nM
Citation
 Arora, N; Bacani, GM; Barbay, JK; Bembenek, SD; Cai, M; Chen, W; Deckhut, CP; Edwards, JP; Ghosh, B; Hao, B; Kreutter, KD; Li, G; Tichenor, MS; Venable, JD; Wei, J; Wiener, JJ; Wu, Y; Zhu, Y; Zhang, F; Zhang, Z; Xiao, K Inhibitors of Bruton's tyrosine kinase and methods of their use US Patent  US10822348 Publication Date 11/3/2020 
Target
Name:
Tyrosine-protein kinase BTK [386-659]
Synonyms:
AGMX1 | ATK | BPK | BTK | BTK_HUMAN | Tyrosine-protein kinase BTK (386-659)
Type:
Enzyme Catalytic Domain
Mol. Mass.:
31815.18
Organism:
Homo sapiens (Human)
Description:
aa 386-659
Residue:
274
Sequence:
STAGLGYGSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
  
Inhibitor
Name:
BDBM467370
Synonyms:
(R,E)-N-(1-(2-cyano-3-(3-methyloxetan-3-yl)acryloyl)piperidin-3- yl)-5-(2-methyl-4-phenoxyphenyl)-4-oxo-4,5-dihydro-3H-1-thia- 3,5,8-triazaacenaphthylene-2-carboxamide; | US10800792, Example 21 | US10822348, Example 21
Type:
Small organic molecule
Emp. Form.:
C35H32N6O5S
Mol. Mass.:
648.731
SMILES:
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCCN(C4)C(=O)C(=C\C4(C)COC4)\C#N)c([nH]c1=O)c23 |r,wU:25.26,(-3.81,3.48,;-5.15,2.71,;-6.48,3.48,;-7.81,2.71,;-9.15,3.48,;-10.48,2.71,;-11.81,3.48,;-13.15,2.71,;-13.15,1.17,;-11.81,.4,;-10.48,1.17,;-7.81,1.17,;-6.48,.4,;-5.15,1.17,;-3.81,.4,;-3.81,-1.14,;-5.15,-1.91,;-5.15,-3.45,;-3.81,-4.22,;-2.48,-3.45,;-1.14,-4.22,;.19,-2.45,;1.73,-2.45,;2.5,-3.78,;2.5,-1.11,;4.04,-1.11,;4.81,-2.45,;6.35,-2.45,;7.12,-1.11,;6.35,.22,;4.81,.22,;7.12,1.55,;6.35,2.89,;8.66,1.55,;9.43,2.89,;10.97,2.89,;10.2,4.22,;12.06,1.8,;13.15,2.89,;12.06,3.98,;9.43,.22,;10.2,-1.11,;-1.14,-1.14,;-1.14,.4,;-2.48,1.17,;-2.48,2.71,;-2.48,-1.91,)|
Structure:
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