BDBM50208816 (2R,3R,4S,5R)-2-(6-amino-2-(2-cyclohexylethoxy)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::CHEMBL387354

SMILES Nc1nc(OCCC2CCCCC2)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=VHMUQIWMOXQFBP-UHFFFAOYSA-N

Data  4 KI

  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 4 hits for monomerid = 50208816   

TargetAdenosine receptor A2a(Rat)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50208816((2R,3R,4S,5R)-2-(6-amino-2-(2-cyclohexylethoxy)-9H...)
Affinity DataKi:  22nMAssay Description:Binding affinity towards adenosine A2A receptor in rat brain striatumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50208816((2R,3R,4S,5R)-2-(6-amino-2-(2-cyclohexylethoxy)-9H...)
Affinity DataKi:  578nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50208816((2R,3R,4S,5R)-2-(6-amino-2-(2-cyclohexylethoxy)-9H...)
Affinity DataKi:  579nMAssay Description:Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/9/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
University of Virginia

Curated by ChEMBL
LigandPNGBDBM50208816((2R,3R,4S,5R)-2-(6-amino-2-(2-cyclohexylethoxy)-9H...)
Affinity DataKi:  1.60E+3nMAssay Description:Binding affinity towards adenosine A1 receptor in rat brain cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed