Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM230085
Substrate
n/a
Meas. Tech.
Human Recombinant Btk Enzyme Assay
IC50
0.810±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:
BDBM230085
Synonyms:
US10106559, Example 7 | US10435415, Example 7 | US9334290, 7 | US9850258, Example 7
Type:
Small organic molecule
Emp. Form.:
C33H29ClN4O5
Mol. Mass.:
597.06
SMILES:
COc1cccc2c1n(C)c(=O)n(-c1cccc(c1C)-c1c(Cl)cc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(8.09,-7.31,;6.75,-6.54,;6.75,-5,;8.09,-4.23,;8.09,-2.69,;6.75,-1.92,;5.42,-2.69,;5.42,-4.23,;4.09,-5,;4.09,-6.54,;2.75,-4.23,;1.42,-5,;2.75,-2.69,;1.42,-1.93,;.08,-2.69,;-1.25,-1.93,;-1.25,-.38,;.08,.38,;1.42,-.38,;2.75,.38,;.08,1.93,;1.42,2.69,;2.75,1.93,;1.42,4.23,;.08,5,;.08,6.54,;1.42,7.31,;-1.25,7.31,;-1.25,4.23,;-2.71,4.71,;-3.62,3.47,;-5.15,3.3,;-5.78,1.9,;-4.87,.65,;-3.34,.81,;-2.71,2.22,;-1.25,2.69,;-7.32,1.9,;-8.09,.56,;-6.55,.56,;-8.09,3.23,;4.09,-1.93,;4.09,-.38,)|
Structure:
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