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

Data  6 KI  2 IC50  5 EC50  5 ITC

PDB links: 433 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 2   

TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataEC50:  150nMAssay Description:Agonist activity at GFP tagged-human P2Y1 receptor expressed in human 1321N1 cells assessed as elevation in calcium level after 30 mins by fluorescen...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 11(Homo sapiens (Human))
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataEC50:  3.30E+3nMAssay Description:Agonist activity at GFP tagged-human P2Y11 receptor expressed in human 1321N1 cells assessed as elevation in calcium level after 30 mins by fluoresce...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataEC50:  200nMAssay Description:Agonist activity at P2Y1 receptor expressed in human HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Rattus norvegicus)
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataEC50:  590nMAssay Description:Concentration required for calcium mobilization at rat purinergic 2Y1 receptor expressed in HEK 293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 2(Homo sapiens (Human))
Ghent University

Curated by ChEMBL
LigandPNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
Affinity DataEC50:  85nMAssay Description:Agonist activity at human P2Y2 receptor expressed in human 1321N1 cells coexpressing phospholipase C-activating G protein assessed as inositol phosph...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 5 hits for monomerid = 2   

CellThymidine Kinase (TK.dT)(Human herpesvirus 1)
Swiss Federal Institute Of Technology

SyringePNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -9.03kcal/mole −TΔS°: 4.77kcal/mole ΔH°: -13.8kcal/mole logk: 3.90E+6
pH: 7.5 T: 25.00°C 
CellThymidine Kinase (TK.dT)(Human herpesvirus 1)
Swiss Federal Institute Of Technology

SyringePNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -9.13kcal/mole −TΔS°: 3.92kcal/mole ΔH°: -13.0kcal/mole
pH: 7.5 T: 20.00°C 
CellThymidine Kinase (TK.dT)(Human herpesvirus 1)
Swiss Federal Institute Of Technology

SyringePNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -8.93kcal/mole −TΔS°: 3.17kcal/mole ΔH°: -12.1kcal/mole
pH: 7.5 T: 15.00°C 
CellThymidine Kinase (TK.dT)(Human herpesvirus 1)
Swiss Federal Institute Of Technology

SyringePNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -8.93kcal/mole −TΔS°: 2.84kcal/mole ΔH°: -11.7kcal/mole
pH: 7.5 T: 10.00°C 
CelltRNA synthetase (GlyRS)(Bombyx mori)
Medical College Of Ohio

SyringePNGBDBM2(({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-...)
ITC DataΔG°: -7.31kcal/mole −TΔS°: 8.81kcal/mole ΔH°: -17.2kcal/mole logk: 2.50E+5
pH: 7.2 T: 24.85°C