Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM230110
Substrate
n/a
Meas. Tech.
Btk Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
0.91±n/a nM
Comments
extracted
Citation
 Batt, DG; Bertrand, MB; Delucca, G; Galella, MA; Ko, SS; Langevine, CM; Liu, Q; Shi, Q; Srivastava, AS; Tino, JA; Watterson, SH Substituted tetrahydrocarbazole and carbazole carboxamide compounds US Patent  US9334290 Publication Date 5/10/2016 
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:
BDBM230110
Synonyms:
US10106559, Example 37 | US10435415, Example 37 | US9334290, 37 | US9850258, Example 37
Type:
Small organic molecule
Emp. Form.:
C32H27ClN4O5
Mol. Mass.:
583.034
SMILES:
COc1cccn2c1cc(=O)n(-c1cccc(c1C)-c1c(Cl)cc(C(N)=O)c3[nH]c4cc(ccc4c13)C(C)(C)O)c2=O |(8.37,-7.31,;7.03,-6.54,;7.03,-5,;8.37,-4.23,;8.37,-2.69,;7.03,-1.92,;5.7,-2.69,;5.7,-4.23,;4.37,-5,;3.03,-4.23,;1.7,-5,;3.03,-2.69,;1.7,-1.93,;.37,-2.69,;-.97,-1.93,;-.97,-.38,;.37,.38,;1.7,-.38,;3.03,.38,;.37,1.93,;1.7,2.69,;3.03,1.93,;1.7,4.23,;.37,5,;.37,6.54,;1.7,7.31,;-.97,7.31,;-.97,4.23,;-2.43,4.71,;-3.34,3.47,;-4.87,3.3,;-5.49,1.9,;-4.59,.65,;-3.06,.81,;-2.43,2.22,;-.97,2.69,;-7.03,1.9,;-6.64,.41,;-8.37,1.13,;-7.8,3.23,;4.37,-1.93,;4.37,-.38,)|
Structure:
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