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SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

InChI Key InChIKey=AHJRSKVOELIMOX-RVXWVPLUSA-N

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50119168   

TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)copy SMILEScopy InChI
Affinity DataKi:  3.60nMAssay Description:Binding affinity against adenosine A2 receptor from rat striatal membranes with 50 nM CPA using [3H]-NECAMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2M9098MPubMed
TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)copy SMILEScopy InChI
Affinity DataKi:  8.10nMAssay Description:Binding affinity against adenosine A2 receptor from human platelet membranes using [3H]NECAMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2M9098MPubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)copy SMILEScopy InChI
Affinity DataKi:  13nMAssay Description:Inhibition of adenylate cyclase via adenosine A1 receptors in rat fat cell membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2M9098MPubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)copy SMILEScopy InChI
Affinity DataKi:  16nMAssay Description:Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPXMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2M9098MPubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)copy SMILEScopy InChI
Affinity DataKi:  633nMAssay Description:Binding affinity against low affinity component of adenosine A1 receptors from rat brain membranes using [3H]-DPCPXMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2M9098MPubMed
TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)copy SMILEScopy InChI
Affinity DataEC50:  128nMAssay Description:Maximal NECA stimulation of adenylate cyclase via adenosine A2 receptor in human platelet membranesMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2M9098MPubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Universit£ di Camerino

Curated by ChEMBL
LigandPNGBDBM50119168((2R,3R,4S,5R)-2-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)copy SMILEScopy InChI
Affinity DataIC50: 2.30E+3nMAssay Description:Binding affinity against high affinity component of adenosine A1 receptors from rat brain membranes using [3H]DPCPXMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2M9098MPubMed