BDBM59208 Adenosine analog, 13

SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3C)ncnc12

InChI Key InChIKey=HBTMNVJREDWGSK-KSVNGYGVSA-N

Data  7 KI  1 EC50

  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 8 hits for monomerid = 59208   

TargetAdenosine receptor A3(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59208(Adenosine analog, 13)
Affinity DataKi:  78.8nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59208(Adenosine analog, 13)
Affinity DataKi:  106nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59208(Adenosine analog, 13)
Affinity DataKi:  246nM ΔG°:  -9.01kcal/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 ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59208(Adenosine analog, 13)
Affinity DataKi:  2.59E+3nM ΔG°:  -7.62kcal/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 ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59208(Adenosine analog, 13)
Affinity DataKi:  3.47E+3nM ΔG°:  -7.44kcal/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 ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59208(Adenosine analog, 13)
Affinity DataKi:  5.43E+3nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59208(Adenosine analog, 13)
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 ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59208(Adenosine analog, 13)
Affinity DataEC50: >1.00E+3nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed