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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM467724
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
7.94±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:
BDBM467724
Synonyms:
(R,E)-N-(1-(4-Aminobut-2-enoyl)pyrrolidin-3-yl)-5-(2-methyl-4- phenoxyphenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 382 | US10822348, Example 520
Type:
Small organic molecule
Emp. Form.:
C30H28N6O4S
Mol. Mass.:
568.646
SMILES:
Cc1cc(Oc2ccccc2)ccc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)\C=C\CN)c([nH]c1=O)c23 |r,wD:25.26,(-2.26,5.32,;-3.62,4.53,;-4.95,5.3,;-6.28,4.53,;-7.62,5.3,;-8.95,4.53,;-10.28,5.3,;-11.62,4.53,;-11.62,2.99,;-10.28,2.22,;-8.95,2.99,;-6.28,2.99,;-4.95,2.22,;-3.62,2.99,;-2.28,2.22,;-2.28,.68,;-3.62,-.09,;-3.62,-1.63,;-2.28,-2.4,;-.95,-1.63,;.52,-2.11,;1.42,-.86,;2.96,-.89,;3.76,.43,;3.71,-2.24,;5.25,-2.24,;6.15,-.99,;7.62,-1.47,;7.62,-3.01,;6.15,-3.48,;8.95,-3.78,;8.95,-5.32,;10.28,-3.01,;10.28,-1.47,;11.62,-.7,;11.62,.84,;.39,.68,;.39,2.22,;-.95,2.99,;-.95,4.53,;-.95,-.09,)|
Structure:
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