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Target
Tyrosine-protein kinase BTK
Ligand
BDBM485529
Substrate
n/a
Meas. Tech.
Kinase Lanthascreen Binding Assay
IC50
8.51±n/a nM
Citation
 Arora, N; Bacani, GM; Barbay, JK; Bembenek, SD; Cai, M; Chen, W; Deckhut, CP; Edwards, JP; Ghosh, B; Kreutter, KD; Li, G; Tichenor, MS; Venable, JD; Wei, J; Wiener, JJ; Wu, Y; Xiao, K; Zhang, F; Zhu, Y Inhibitors of Bruton's tyrosine kinase and method of their use US Patent  US10934310 Publication Date 3/2/2021 
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:
BDBM485529
Synonyms:
N-((1R,3S)-3-Acrylamidocyclopentyl)-5-(*S)-(6-(cyclopentyloxy)- 4-methylpyridin-3-yl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,8- triazaacenaphthylene-2-carboxamide | US10934310, Ex # 366 | US11319329, Ex # 366
Type:
Small organic molecule
Emp. Form.:
C28H30N6O4S
Mol. Mass.:
546.641
SMILES:
Cc1cc(OC2CCCC2)ncc1-n1c2ccnc3sc(C(=O)N[C@@H]4CC[C@@H](C4)NC(=O)C=C)c([nH]c1=O)c23 |r,wD:24.25,27.31,(-3.07,4.81,;-4.4,4.04,;-5.74,4.81,;-7.07,4.04,;-8.4,4.81,;-9.74,4.04,;-11.07,4.81,;-12.22,3.78,;-11.59,2.37,;-10.06,2.53,;-7.07,2.5,;-5.74,1.73,;-4.4,2.5,;-3.07,1.73,;-3.07,.19,;-4.4,-.58,;-4.4,-2.12,;-3.07,-2.89,;-1.74,-2.12,;-.25,-2.52,;.69,-1.11,;2.23,-1.11,;3,.75,;3,-2.44,;4.54,-2.44,;5.44,-1.19,;6.91,-1.67,;6.91,-3.21,;5.44,-3.69,;8.15,-4.12,;9.64,-3.72,;10.04,-2.23,;10.73,-4.81,;12.22,-4.41,;-.4,.19,;-.4,1.73,;-1.74,2.5,;-1.74,4.04,;-1.74,-.58,)|
Structure:
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