Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM324398
Substrate
n/a
Meas. Tech.
In Vitro BTK Kinase Assay
IC50
<1.000±n/a nM
Citation
 Hopkins, BT; Ma, B; Prince, R; Marx, I; Lyssikatos, JP Inhibiting agents for bruton's tyrosine kinase US Patent  US10227341 Publication Date 3/12/2019 
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:
BDBM324398
Synonyms:
(S)-5-(tert-butyl)-N-(8- (2-((1-methyl-1H- pyrazol-4- yl)amino)pyrimidin-4- yl)-2-(2,2,2- trifluoroethyl)-2,3,4,5- tetrahydro-1H- benzo[c]azepin-5-yl)- 1,2,4-oxadiazole-3- carboxamide | US10189829, Compound 137 | US10227341, Compound 137 | US10961237, Compound 137 | US11858926, Compound 137
Type:
Small organic molecule
Emp. Form.:
C27H30F3N9O2
Mol. Mass.:
569.5814
SMILES:
Cn1cc(Nc2nccc(n2)-c2ccc3[C@H](CCN(CC(F)(F)F)Cc3c2)NC(=O)c2noc(n2)C(C)(C)C)cn1 |r|
Structure:
Search PDB for entries with ligand similarity: