Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM230118
Substrate
n/a
Meas. Tech.
Human Recombinant Btk Enzyme Assay
IC50
0.350±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:
BDBM230118
Synonyms:
US10106559, Example 47 | US10435415, Example 47 | US9334290, 47 | US9850258, Example 47
Type:
Small organic molecule
Emp. Form.:
C30H21Cl2FN4O4
Mol. Mass.:
591.417
SMILES:
CC(C)(O)c1ccc2c(c1)[nH]c1c(cc(Cl)c(-c3cccc(c3Cl)-n3c(=O)[nH]c4c(F)cccc4c3=O)c21)C(N)=O |(-8.37,.74,;-7.03,1.51,;-6.64,.02,;-7.8,2.85,;-5.49,1.51,;-4.59,.27,;-3.06,.43,;-2.43,1.83,;-3.34,3.08,;-4.87,2.92,;-2.43,4.33,;-.97,3.85,;.37,4.62,;1.7,3.85,;1.7,2.31,;3.03,1.54,;.37,1.54,;.37,,;-.97,-.77,;-.97,-2.31,;.37,-3.08,;1.7,-2.31,;1.7,-.77,;3.03,,;3.03,-3.08,;3.03,-4.62,;1.7,-5.39,;4.37,-5.39,;5.7,-4.62,;7.03,-5.39,;7.03,-6.93,;8.37,-4.62,;8.37,-3.08,;7.03,-2.31,;5.7,-3.08,;4.37,-2.31,;4.37,-.77,;-.97,2.31,;.37,6.16,;1.7,6.93,;-.97,6.93,)|
Structure:
Search PDB for entries with ligand similarity: