Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM230087
Substrate
n/a
Meas. Tech.
Human Recombinant Btk Enzyme Assay
IC50
0.620±n/a nM
Citation
 Batt, DG; Bertrand, MB; De Lucca, GV; Galella, MA; Ko, SS; Langevine, CM; Liu, Q; Shi, Q; Srivastava, AS; Tino, JA; Watterson, SH Substituted tetrahydrocarbazole and carbazole carboxamide compounds US Patent  US10435415 Publication Date 10/8/2019 
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:
BDBM230087
Synonyms:
US10106559, Example 9 | US10435415, Example 9 | US9334290, 9 | US9850258, Example 9
Type:
Small organic molecule
Emp. Form.:
C32H26ClFN4O4
Mol. Mass.:
585.025
SMILES:
Cc1c(cccc1-n1c(=O)n(C)c2cc(F)ccc2c1=O)-c1c(Cl)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.09,,;.75,-.77,;-.58,,;-1.92,-.77,;-1.92,-2.31,;-.58,-3.08,;.75,-2.31,;2.09,-3.08,;2.09,-4.62,;.75,-5.39,;3.42,-5.39,;3.42,-6.93,;4.75,-4.62,;6.09,-5.39,;7.42,-4.62,;8.75,-5.39,;7.42,-3.08,;6.09,-2.31,;4.75,-3.08,;3.42,-2.31,;3.42,-.77,;-.58,1.54,;.75,2.31,;2.09,1.54,;.75,3.85,;-.58,4.62,;-.58,6.16,;.75,6.93,;-1.92,6.93,;-1.92,3.85,;-3.38,4.33,;-4.29,3.08,;-5.82,2.92,;-6.44,1.51,;-5.54,.27,;-4.01,.43,;-3.38,1.83,;-1.92,2.31,;-7.98,1.51,;-8.75,.18,;-7.21,.18,;-8.75,2.85,)|
Structure:
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