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Target
Tyrosine-protein kinase BTK [386-659]
Ligand
BDBM468111
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:
BDBM468111
Synonyms:
(R)-N-(1-Acryloylpyrrolidin-3-yl)-5-(*S)-(6-(cyclopentyloxy)-4- methylpyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide; | US10800792, Example 776 | US10822348, Example 776
Type:
Small organic molecule
Emp. Form.:
C27H28N6O4S
Mol. Mass.:
532.614
SMILES:
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CCN(C4)C(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,(-2.22,5.29,;-3.56,4.52,;-4.89,5.29,;-6.22,4.52,;-7.56,5.29,;-8.89,4.52,;-10.3,5.15,;-11.33,4,;-10.56,2.67,;-9.05,2.99,;-6.22,2.98,;-4.89,2.21,;-3.56,2.98,;-2.22,2.21,;-2.22,.67,;-3.56,-.1,;-3.56,-1.64,;-2.22,-2.41,;-.89,-1.64,;.48,-2.24,;1.21,-.74,;2.75,-.75,;3.52,.58,;3.52,-2.08,;5.06,-2.08,;5.97,-.84,;7.43,-1.31,;7.43,-2.85,;5.97,-3.33,;8.68,-3.76,;8.52,-5.29,;10.08,-3.13,;11.33,-4.04,;.44,.67,;.44,2.21,;-.89,2.98,;-.89,4.52,;-.89,-.1,)|
Structure:
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