BDBM50118242 ((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate::((2S,3R,4S,5S)-5-(6-amino-2-(methylthio)-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl trihydrogen diphosphate::2-MeS-ADP::2-MeSADP::CHEMBL435402::[({[(2R,3S,4R,5R)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]phosphonic acid

SMILES CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=WLMZTKAZJUWXCB-KQYNXXCUSA-N

Data  1 KI  7 IC50  89 EC50

PDB links: 3 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50118242   

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

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  13nMAssay Description:Agonist activity at GFP-tagged human P2Y1R transfected in human 1321N1 cells assessed as increase in intracellular Ca2+ level by fura 2/AM probe-base...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  2.5nMAssay Description:Agonist activity at G-protein coupled P2Y1 receptor expressed in human 1321N1 cells assessed as increase in calcium by Fura2 assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Meleagris gallopavo)
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  2.5nMAssay Description:Agonist activity at turkey P2Y1 receptor expressed in human 132N1 receptor assessed as induction of intracellular calcium mobilizationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Meleagris gallopavo)
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  4nMAssay Description:Agonist activity at turkey P2Y purinoceptor 1 expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by spectrof...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Rattus norvegicus)
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  100nMAssay Description:Activity against rat P2Y1-GFP transfected in HEK293 cells by intracellular calcium increaseMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  11nMAssay Description:Activity against human P2Y1-GFP expressed in 1321N1 cells by intracellular calcium increaseMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Meleagris gallopavo)
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  2.5nMAssay Description:Agonist activity at turkey P2Y1R expressed in 1321N1 cells assessed as increase in intracellular calcium concentration by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Homo sapiens (Human))
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  13nMAssay Description:Agonist activity at human GFP-tagged P2Y1R transfected in human 1321N1 cells assessed as induction of intracellular calcium mobilization by fluoresce...More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Meleagris gallopavo)
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  4nMAssay Description:Agonist activity at turkey P2Y1 receptor expressed in human 1321N1 cells assessed as increase in intracellular calcium concentration by dual-excitati...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed