BDBM50163021 (2R,3R,4S,5R)-2-(2-Amino-6-methylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::Adenosine analog, 17::CHEMBL194830

SMILES CNc1nc(N)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=XTJPMALIPQWXDY-UHFFFAOYSA-N

Data  10 KI  1 EC50

  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 11 hits for monomerid = 50163021   

TargetAdenosine receptor A2b(Human)
National Institutes of Health

LigandPNGBDBM50163021(Adenosine analog, 17 | CHEMBL194830 | (2R,3R,4S,5R...)
Affinity DataEC50: >1.00E+4nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institutes of Health

LigandPNGBDBM50163021(Adenosine analog, 17 | CHEMBL194830 | (2R,3R,4S,5R...)
Affinity DataKi:  39nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Human)
National Institutes of Health

LigandPNGBDBM50163021(Adenosine analog, 17 | CHEMBL194830 | (2R,3R,4S,5R...)
Affinity DataKi:  39nMAssay Description:Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50163021(Adenosine analog, 17 | CHEMBL194830 | (2R,3R,4S,5R...)
Affinity DataKi:  480nMAssay Description:Inhibition of [3H]R-PIA binding to human Adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A1(Human)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50163021(Adenosine analog, 17 | CHEMBL194830 | (2R,3R,4S,5R...)
Affinity DataKi:  484nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institutes of Health

LigandPNGBDBM50163021(Adenosine analog, 17 | CHEMBL194830 | (2R,3R,4S,5R...)
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/molepH: 7.4 T: 2°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institutes of Health

LigandPNGBDBM50163021(Adenosine analog, 17 | CHEMBL194830 | (2R,3R,4S,5R...)
Affinity DataKi: >1.00E+4nM ΔG°: >-6.82kcal/molepH: 7.4 T: 2°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institutes of Health

LigandPNGBDBM50163021(Adenosine analog, 17 | CHEMBL194830 | (2R,3R,4S,5R...)
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50163021(Adenosine analog, 17 | CHEMBL194830 | (2R,3R,4S,5R...)
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of [125I]AB-MECA binding to rat Adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institutes of Health

LigandPNGBDBM50163021(Adenosine analog, 17 | CHEMBL194830 | (2R,3R,4S,5R...)
Affinity DataKi: >1.00E+5nM ΔG°: >-5.45kcal/molepH: 7.4 T: 2°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institutes of Health

LigandPNGBDBM50163021(Adenosine analog, 17 | CHEMBL194830 | (2R,3R,4S,5R...)
Affinity DataKi: >1.00E+5nM ΔG°: >-5.45kcal/molepH: 7.4 T: 2°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
In DepthDetails Article
PubMed