BDBM2 ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid::ATP::Brimonidine ATP::CHEMBL14249
SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
InChI Key InChIKey=ZKHQWZAMYRWXGA-KQYNXXCUSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 6 hits for monomerid = 2
Affinity DataKi: 1.30E+4nM ΔG°: -6.66kcal/mole IC50: 1.00E+5nMpH: 7.5 T: 2°CAssay Description:Aminoacyl-tRNA synthetase assays were measuring the incorporation of [14C] amino acid into tRNA.More data for this Ligand-Target Pair
Activity Spreadsheet -- ITC Data from BindingDB
Found 5 hits for monomerid = 2
ITC DataΔG°: -9.03kcal/mole −TΔS°: 4.77kcal/mole ΔH°: -13.8kcal/mole logk: 3.90E+6
pH: 7.5 T: 25.00°C
pH: 7.5 T: 25.00°C
ITC DataΔG°: -9.13kcal/mole −TΔS°: 3.92kcal/mole ΔH°: -13.0kcal/mole
pH: 7.5 T: 20.00°C
pH: 7.5 T: 20.00°C
ITC DataΔG°: -8.93kcal/mole −TΔS°: 3.17kcal/mole ΔH°: -12.1kcal/mole
pH: 7.5 T: 15.00°C
pH: 7.5 T: 15.00°C
ITC DataΔG°: -8.93kcal/mole −TΔS°: 2.84kcal/mole ΔH°: -11.7kcal/mole
pH: 7.5 T: 10.00°C
pH: 7.5 T: 10.00°C
ITC DataΔG°: -7.31kcal/mole −TΔS°: 8.81kcal/mole ΔH°: -17.2kcal/mole logk: 2.50E+5
pH: 7.2 T: 24.85°C
pH: 7.2 T: 24.85°C