BDBM59203 Adenosine analog, 8

SMILES NCCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key InChIKey=JLQSFLXHRJZVNM-QRIDJOKKSA-N

Data  10 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 11 hits for monomerid = 59203   

TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59203(Adenosine analog, 8)
Affinity DataKi:  4.14E+3nM ΔG°:  -7.34kcal/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

LigandPNGBDBM59203(Adenosine analog, 8)
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 ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59203(Adenosine analog, 8)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of 3[H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cells after 60 mins by Liquid scintillation analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM59203(Adenosine analog, 8)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of 3[H]R-PIA from human A1 adenosine receptor expressed in CHO cells after 60 mins by Liquid scintillation analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59203(Adenosine analog, 8)
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 ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59203(Adenosine analog, 8)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cells after 60 mins gamma counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59203(Adenosine analog, 8)
Affinity DataKi:  1.08E+4nM ΔG°:  -6.77kcal/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

LigandPNGBDBM59203(Adenosine analog, 8)
Affinity DataKi:  5.76E+4nM ΔG°:  -5.78kcal/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

LigandPNGBDBM59203(Adenosine analog, 8)
Affinity DataKi:  7.42E+4nM ΔG°:  -5.63kcal/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 A1(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM59203(Adenosine analog, 8)
Affinity DataKi: >1.00E+5nMAssay 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 A2b(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM59203(Adenosine analog, 8)
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 ArticlePubMed