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Target
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Ligand
BDBM50538869
Substrate
n/a
Meas. Tech.
ChEMBL_1977247 (CHEMBL4610382)
EC50
46±n/a nM
Citation
 Allegretti, PA; Horton, TM; Abdolazimi, Y; Moeller, HP; Yeh, B; Caffet, M; Michel, G; Smith, M; Annes, JP Generation of highly potent DYRK1A-dependent inducers of human ?-Cell replication via Multi-Dimensional compound optimization. Bioorg Med Chem 28:0 (2020) [PubMed]  Article
Target
Name:
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Synonyms:
DYR1A_HUMAN | DYRK | DYRK1A | Dual specificity YAK1-related kinase | Dual specificity YAK1-related kinase 1A (Dyrk1A) | Dual specificity tyrosine-phosphorylation-regulated kinase 1A (DYRK1A) | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | Dual-specificity tyrosine-regulated kinases 1A | HP86 | MNB | MNBH
Type:
Enzyme
Mol. Mass.:
85616.61
Organism:
Homo sapiens (Human)
Description:
Q13627
Residue:
763
Sequence:
MHTGGETSACKPSSVRLAPSFSFHAAGLQMAGQMPHSHQYSDRRQPNISDQQVSALSYSDQIQQPLTNQVMPDIVMLQRRMPQTFRDPATAPLRKLSVDLIKTYKHINEVYYAKKKRRHQQGQGDDSSHKKERKVYNDGYDDDNYDYIVKNGEKWMDRYEIDSLIGKGSFGQVVKAYDRVEQEWVAIKIIKNKKAFLNQAQIEVRLLELMNKHDTEMKYYIVHLKRHFMFRNHLCLVFEMLSYNLYDLLRNTNFRGVSLNLTRKFAQQMCTALLFLATPELSIIHCDLKPENILLCNPKRSAIKIVDFGSSCQLGQRIYQYIQSRFYRSPEVLLGMPYDLAIDMWSLGCILVEMHTGEPLFSGANEVDQMNKIVEVLGIPPAHILDQAPKARKFFEKLPDGTWNLKKTKDGKREYKPPGTRKLHNILGVETGGPGGRRAGESGHTVADYLKFKDLILRMLDYDPKTRIQPYYALQHSFFKKTADEGTNTSNSVSTSPAMEQSQSSGTTSSTSSSSGGSSGTSNSGRARSDPTHQHRHSGGHFTAAVQAMDCETHSPQVRQQFPAPLGWSGTEAPTQVTVETHPVQETTFHVAPQQNALHHHHGNSSHHHHHHHHHHHHHGQQALGNRTRPRVYNSPTNSSSTQDSMEVGHSHHSMTSLSSSTTSSSTSSSSTGNQGNQAYQNRPVAANTLDFGQNGAMDVNLTVYSNPRQETGIAGHPTYQFSANTGPAHYMTEGHLTMRQGADREESPMTGVCVQQSPVASS
  
Inhibitor
Name:
BDBM50538869
Synonyms:
CHEMBL4643188
Type:
Small organic molecule
Emp. Form.:
C25H33N7O
Mol. Mass.:
447.5758
SMILES:
CCNC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1ccnc(N)c1 |r,wU:16.17,wD:19.21,(63.35,-27.27,;62.02,-26.51,;60.7,-27.28,;59.36,-26.53,;59.35,-24.98,;58.03,-27.31,;58.04,-28.86,;56.7,-29.63,;55.36,-28.87,;54.02,-29.65,;52.69,-28.88,;52.7,-27.33,;54.02,-26.55,;55.36,-27.32,;56.69,-26.54,;56.68,-25,;55.35,-24.24,;54.03,-25.02,;52.7,-24.25,;52.69,-22.72,;51.36,-21.95,;51.36,-20.42,;50.03,-19.65,;52.69,-19.65,;54.02,-21.95,;55.35,-22.71,;51.36,-26.56,;50.03,-27.33,;48.69,-26.56,;48.69,-25.01,;50.03,-24.24,;50.03,-22.71,;51.36,-25.01,)|
Structure:
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