Reaction Details Report a problem with these data
Target
Tyrosine-protein kinase BTK
Ligand
BDBM377714
Substrate
n/a
Meas. Tech.
LanthaScreen Assay
IC50
16.5±n/a nM
Citation
 Springer, JR; Devadas, B; Garland, DJ; Grapperhaus, ML; Han, S; Hockerman, SL; Hughes, RO; Saiah, E; Schnute, ME; Selness, SR; Walker, DP; Wan, Z; Xing, L; Zapf, CW; Schmidt, MA Bruton's tyrosine kinase inhibitors US Patent  US10815213 Publication Date 10/27/2020 
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:
BDBM377714
Synonyms:
5-amino-1-[1-(cyanomethyl)pyrrolidin-3-yl]-3-(4-phenoxyphenyl)-1H-pyrazole-4-carboxamide | US10266513, Example 8 | US10815213, Example 8
Type:
Small organic molecule
Emp. Form.:
C22H22N6O2
Mol. Mass.:
402.4491
SMILES:
NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCN(CC#N)C1
Structure:
Search PDB for entries with ligand similarity: