Reaction Details  Report a problem with these data
Target
Dual specificity tyrosine-phosphorylation-regulated kinase 1A
Ligand
BDBM50538872
Substrate
n/a
Meas. Tech.
ChEMBL_1977247 (CHEMBL4610382)
EC50
37±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:
BDBM50538872
Synonyms:
CHEMBL4638868
Type:
Small organic molecule
Emp. Form.:
C27H34N6O3
Mol. Mass.:
490.5973
SMILES:
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN2CCOCC2)CC1)-c1ccnc(N)c1 |r,wU:16.17,wD:19.21,(42.69,-46,;41.36,-45.24,;40.03,-46.01,;38.69,-45.25,;38.68,-43.7,;37.36,-46.03,;37.37,-47.58,;36.03,-48.36,;34.69,-47.59,;33.35,-48.37,;32.02,-47.6,;32.02,-46.05,;33.35,-45.27,;34.69,-46.04,;36.02,-45.26,;36.01,-43.72,;34.68,-42.96,;33.36,-43.74,;32.03,-42.97,;32.02,-41.44,;30.69,-40.67,;30.69,-39.13,;29.36,-38.37,;29.35,-36.83,;30.68,-36.06,;32.01,-36.83,;32.02,-38.36,;33.35,-40.67,;34.68,-41.43,;30.69,-45.27,;29.36,-46.05,;28.02,-45.28,;28.02,-43.73,;29.36,-42.96,;29.36,-41.43,;30.68,-43.73,)|
Structure:
Search PDB for entries with ligand similarity: