BDBM50300878 (2R,3R,4S,5R)-2-(6-amino-2-(hexylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::CHEMBL577915

SMILES CCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=NVINXDUHMZXGJN-UHFFFAOYSA-N

Data  5 KI

  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 5 hits for monomerid = 50300878   

TargetAdenosine receptor A1(Rat)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50300878((2R,3R,4S,5R)-2-(6-amino-2-(hexylthio)-9H-purin-9-...)
Affinity DataKi:  256nMAssay 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
LigandPNGBDBM50300878((2R,3R,4S,5R)-2-(6-amino-2-(hexylthio)-9H-purin-9-...)
Affinity DataKi:  542nMAssay 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 receptor A3(Human)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50300878((2R,3R,4S,5R)-2-(6-amino-2-(hexylthio)-9H-purin-9-...)
Affinity DataKi:  2.32E+3nMAssay Description:Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells 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
LigandPNGBDBM50300878((2R,3R,4S,5R)-2-(6-amino-2-(hexylthio)-9H-purin-9-...)
Affinity DataKi:  5.90E+3nMAssay Description:Inhibition of calf intestine 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
LigandPNGBDBM50300878((2R,3R,4S,5R)-2-(6-amino-2-(hexylthio)-9H-purin-9-...)
Affinity DataKi:  1.06E+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