Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM230123
Substrate
n/a
Meas. Tech.
Btk Enzyme Assay
pH
7.4±n/a
Temperature
298.15±n/a K
IC50
0.48±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:
BDBM230123
Synonyms:
US9334290, 52
Type:
Small organic molecule
Emp. Form.:
C32H26F2N4O4
Mol. Mass.:
568.57
SMILES:
Cc1c(cccc1-n1c(=O)n(C)c2c(F)cccc2c1=O)-c1c(F)cc(C(N)=O)c2[nH]c3cc(ccc3c12)C(C)(C)O |(2.89,.77,;1.55,,;.22,.77,;-1.12,,;-1.12,-1.54,;.22,-2.31,;1.55,-1.54,;2.89,-2.31,;2.89,-3.85,;1.55,-4.62,;4.22,-4.62,;4.22,-6.16,;5.55,-3.85,;6.89,-4.62,;6.89,-6.16,;8.22,-3.85,;8.22,-2.31,;6.89,-1.54,;5.55,-2.31,;4.22,-1.54,;4.22,,;.22,2.31,;1.55,3.08,;2.89,2.31,;1.55,4.62,;.22,5.39,;.22,6.93,;1.55,7.7,;-1.12,7.7,;-1.12,4.62,;-2.58,5.1,;-3.49,3.85,;-5.02,3.69,;-5.64,2.28,;-4.74,1.04,;-3.21,1.2,;-2.58,2.6,;-1.12,3.08,;-7.13,1.88,;-6.73,.4,;-8.22,.79,;-8.22,2.97,)|
Structure:
Search PDB for entries with ligand similarity: