BDBM50300882 (2R,3R,4S,5R)-2-(6-amino-2-(propylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::CHEMBL577902

SMILES CCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=RZECJIGAYNYQAD-UHFFFAOYSA-N

Data  4 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50300882   

TargetAdenosine receptor A1(Rat)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50300882((2R,3R,4S,5R)-2-(6-amino-2-(propylthio)-9H-purin-9...)
Affinity DataKi:  1.27E+3nMAssay Description:Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50300882((2R,3R,4S,5R)-2-(6-amino-2-(propylthio)-9H-purin-9...)
Affinity DataKi:  1.35E+3nMAssay Description:Displacement of [3H]CGS21680 from adenosine A2A receptor in rat brain striatal membrane after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetAdenosine deaminase(Bovine)
Bar-Ilan University

Curated by ChEMBL
LigandPNGBDBM50300882((2R,3R,4S,5R)-2-(6-amino-2-(propylthio)-9H-purin-9...)
Affinity DataKi:  1.14E+4nMAssay Description:Inhibition of calf placental adenosine deaminase by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/4/2013
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50300882((2R,3R,4S,5R)-2-(6-amino-2-(propylthio)-9H-purin-9...)
Affinity DataKi:  1.52E+4nMAssay Description:Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetBile salt export pump(Human)
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM50300882((2R,3R,4S,5R)-2-(6-amino-2-(propylthio)-9H-purin-9...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2019
Entry Details Article
PubMed