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
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 30 hits for monomerid = 50118242   

TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  1.58E+3nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(K280A) human P2Y1 receptor in presence of MRS2179More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  25nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(T222A) human P2Y1 receptor in presence of MRS2179 (P<0.005)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  2.5nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(T221A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  378nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(Q307A) human P2Y1 receptor in presence of MRS2179More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  10nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(S314T) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  12nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(T221A) human P2Y1 receptor in presence of MRS2179 (P<0.005)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  1.90nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(WT) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  1.52E+3nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(K280A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  323nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(Q307A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  1.90nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(S317A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  12nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(S317A) human P2Y1 receptor in presence of MRS2179More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  12nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(Y136A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  103nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(F131A) human P2Y1 receptor in presence of MRS2179 (P<0.05)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  53nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(H132A) human P2Y1 receptor in presence of MRS2179 (P<0.005)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  2.27E+3nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(R310K) human P2Y1 receptor in presence of MRS2179More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  115nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(H277A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  18nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(H132A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  31nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(S314T) human P2Y1 receptor in presence of MRS2179More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  13nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(WT) human P2Y1 receptor in presence of MRS2179 (P<0.005)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  324nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(R310K) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  19nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(F131A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  20nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(F226A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  11nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(T222A) human P2Y1 receptor.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  36nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(Y136A) human P2Y1 receptor in presence of MRS2179 (P<0.005)More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  738nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(H277A) human P2Y1 receptor in presence of MRS2179More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Meleagris gallopavo)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  6nMAssay Description:Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 2(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50: >1.00E+5nMAssay Description:Evaluated for agonist activity against phospholipase C coupled recombinant human P2Y purinoceptor 2 (P2Y2)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  27nMAssay Description:Compound was measured for the antagonism of the activation of phospholipase C in mutant(F226A) human P2Y1 receptor in presence of MRS2179.More data for this Ligand-Target Pair
TargetP2Y purinoceptor 1(Meleagris gallopavo)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  6nMAssay Description:Activation of Purinoceptor P2Y1-mediated phospholipase C in turkey erythrocyte membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetP2Y purinoceptor 1(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50118242(((2R,3S,4R,5R)-5-(6-amino-2-(methylthio)-9H-purin-...)
Affinity DataEC50:  6.40nMAssay Description:Accumulation of inositol phosphate in 1321N1 astrocytoma cells expressing human P2Y1 purinoceptorMore data for this Ligand-Target Pair