Reaction Details  Report a problem with these data
Target
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
Ligand
BDBM50585046
Substrate
n/a
Meas. Tech.
ChEMBL_2161460 (CHEMBL5046210)
IC50
5.0±n/a nM
Citation
 Powell, CE; Hatcher, JM; Jiang, J; Vatsan, PS; Che, J; Gray, NS Selective Macrocyclic Inhibitors of DYRK1A/B. ACS Med Chem Lett 13:577-585 (2022) [PubMed]  Article
Target
Name:
Dual specificity tyrosine-phosphorylation-regulated kinase 1B
Synonyms:
DYR1B_HUMAN | DYRK1B | Dual specificity tyrosine-phosphorylation-regulated kinase 1B | Dual-specificity tyrosine-regulated kinases 1B | MIRK
Type:
Enzyme
Mol. Mass.:
69222.24
Organism:
Homo sapiens (Human)
Description:
Q9Y463
Residue:
629
Sequence:
MAVPPGHGPFSGFPGPQEHTQVLPDVRLLPRRLPLAFRDATSAPLRKLSVDLIKTYKHINEVYYAKKKRRAQQAPPQDSSNKKEKKVLNHGYDDDNHDYIVRSGERWLERYEIDSLIGKGSFGQVVKAYDHQTQELVAIKIIKNKKAFLNQAQIELRLLELMNQHDTEMKYYIVHLKRHFMFRNHLCLVFELLSYNLYDLLRNTHFRGVSLNLTRKLAQQLCTALLFLATPELSIIHCDLKPENILLCNPKRSAIKIVDFGSSCQLGQRIYQYIQSRFYRSPEVLLGTPYDLAIDMWSLGCILVEMHTGEPLFSGSNEVDQMNRIVEVLGIPPAAMLDQAPKARKYFERLPGGGWTLRRTKELRKDYQGPGTRRLQEVLGVQTGGPGGRRAGEPGHSPADYLRFQDLVLRMLEYEPAARISPLGALQHGFFRRTADEATNTGPAGSSASTSPAPLDTCPSSSTASSISSSGGSSGSSSDNRTYRYSNRYCGGPGPPITDCEMNSPQVPPSQPLRPWAGGDVPHKTHQAPASASSLPGTGAQLPPQPRYLGRPPSPTSPPPPELMDVSLVGGPADCSPPHPAPAPQHPAASALRTRMTGGRPPLPPPDDPATLGPHLGLRGVPQSTAASS
  
Inhibitor
Name:
BDBM50585046
Synonyms:
CHEMBL5086263
Type:
Small organic molecule
Emp. Form.:
C22H18F4N8O
Mol. Mass.:
486.4249
SMILES:
CN1Cc2nn(C)c(C#N)c2-c2cnc3[nH]c(F)c(-c4cn(CCCC1=O)nc4C(F)(F)F)c3c2
Structure:
Search PDB for entries with ligand similarity: