BDBM18134 ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}amino)phosphonic acid::5-Adenylyl imidodiphosphate::AMP.P[NH]P::AMPPNP

SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O

InChI Key InChIKey=PVKSNHVPLWYQGJ-KQYNXXCUSA-N

Data  4 KI  2 IC50  10 ITC

PDB links: 1022 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 18134   

TargetS-adenosylmethionine synthase isoform type-1/type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  4.00E+3nMAssay Description:Inhibitory constant against rat Methionine adenosyltransferase was reportedMore data for this Ligand-Target Pair
TargetS-adenosylmethionine synthase isoform type-2(Rattus norvegicus)
TBA

Curated by ChEMBL
LigandPNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  5.50E+3nMAssay Description:Inhibitory constant against rat kidney Methionine adenosyltransferase IIMore data for this Ligand-Target Pair
TargetGlycine--tRNA ligase(Bombyx mori)
Medical College of Ohio

LigandPNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  2.00E+4nM ΔG°:  -6.41kcal/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
TargetGlycerol kinase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
Affinity DataKi:  9.00E+5nMAssay Description:Tested for its binding affinity against glycerol kinase (ATP competitive inhibition)More data for this Ligand-Target Pair
In DepthDetails Article
TargetSensor protein kinase WalK(Staphylococcus aureus)
Indiana University

Curated by ChEMBL
LigandPNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1
Affinity DataIC50: 2.28E+5nMAssay Description:Inhibition of Streptococcus pneumoniae VicK autophosphorylation using compound at non-aggregating concentration after 30 mins in presence of [gamma-3...More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 10 hits for monomerid = 18134   

CelltRNA synthetase (GlyRS)(Bombyx mori)
Medical College of Ohio

SyringePNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -7.57kcal/mole −TΔS°: 9.29kcal/mole ΔH°: -16.2kcal/mole logk: 3.70E+5
pH: 7.2 T: 24.85°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -5.61kcal/mole −TΔS°: 3.56kcal/mole ΔH°: -9.17kcal/mole logk: 2.30E+4
pH: 8.0 T: 8.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -5.57kcal/mole −TΔS°: 3.10kcal/mole ΔH°: -8.67kcal/mole logk: 1.90E+4
pH: 8.0 T: 10.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -5.45kcal/mole −TΔS°: 3.13kcal/mole ΔH°: -8.57kcal/mole logk: 1.30E+4
pH: 8.0 T: 15.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -5.40kcal/mole −TΔS°: 2.77kcal/mole ΔH°: -8.17kcal/mole logk: 1.10E+4
pH: 8.0 T: 20.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -5.59kcal/mole −TΔS°: 3.42kcal/mole ΔH°: -9.02kcal/mole logk: 2.20E+4
pH: 8.0 T: 8.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -5.56kcal/mole −TΔS°: 2.97kcal/mole ΔH°: -8.52kcal/mole logk: 1.80E+4
pH: 8.0 T: 12.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -5.47kcal/mole −TΔS°: 2.72kcal/mole ΔH°: -8.20kcal/mole logk: 1.40E+4
pH: 8.0 T: 16.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -5.48kcal/mole −TΔS°: 2.33kcal/mole ΔH°: -7.81kcal/mole logk: 8.50E+3
pH: 8.0 T: 25.00°C 
CellHeat Shock Protein 90 (Hsp90)(Saccharomyces cerevisiae (Baker s yeast))
University College London

SyringePNGBDBM18134(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -5.30kcal/mole −TΔS°: 2.68kcal/mole ΔH°: -7.98kcal/mole logk: 7.70E+3
pH: 8.0 T: 25.00°C