BDBM50185934 (2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-carbohydrazide::Adenosine analog, 7::CHEMBL378606

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

InChI Key InChIKey=DBXIKHHFPUCMQL-UHFFFAOYSA-N

Data  9 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 10 hits for monomerid = 50185934   

TargetAdenosine receptor A2b(Human)
National Institutes of Health

LigandPNGBDBM50185934(CHEMBL378606 | Adenosine analog, 7 | (2S,3S,4R,5R)...)
Affinity DataEC50:  1.20E+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 A2a(Human)
National Institutes of Health

LigandPNGBDBM50185934(CHEMBL378606 | Adenosine analog, 7 | (2S,3S,4R,5R)...)
Affinity DataKi:  16.4nM ΔG°:  -10.6kcal/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 A1(Human)
National Institutes of Health

LigandPNGBDBM50185934(CHEMBL378606 | Adenosine analog, 7 | (2S,3S,4R,5R)...)
Affinity DataKi:  171nMAssay 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

LigandPNGBDBM50185934(CHEMBL378606 | Adenosine analog, 7 | (2S,3S,4R,5R)...)
Affinity DataKi:  378nMAssay 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

LigandPNGBDBM50185934(CHEMBL378606 | Adenosine analog, 7 | (2S,3S,4R,5R)...)
Affinity DataKi:  1.18E+3nM ΔG°:  -8.08kcal/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 A3(Human)
National Institutes of Health

LigandPNGBDBM50185934(CHEMBL378606 | Adenosine analog, 7 | (2S,3S,4R,5R)...)
Affinity DataKi:  1.50E+3nMAssay Description:Displacement of [125I]I-AB-MECA from wild type adenosine A3 receptor expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institutes of Health

LigandPNGBDBM50185934(CHEMBL378606 | Adenosine analog, 7 | (2S,3S,4R,5R)...)
Affinity DataKi:  2.23E+3nMAssay 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

LigandPNGBDBM50185934(CHEMBL378606 | Adenosine analog, 7 | (2S,3S,4R,5R)...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272E mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAdenosine receptor A2a(Human)
National Institutes of Health

LigandPNGBDBM50185934(CHEMBL378606 | Adenosine analog, 7 | (2S,3S,4R,5R)...)
Affinity DataKi:  1.10E+4nM ΔG°:  -6.76kcal/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

LigandPNGBDBM50185934(CHEMBL378606 | Adenosine analog, 7 | (2S,3S,4R,5R)...)
Affinity DataKi:  3.28E+4nM ΔG°:  -6.11kcal/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