BDBM50054677 2-Methyl-6-phenyl-4-phenylethynyl-pyridine-3,5-dicarboxylic acid 5-benzyl ester 3-ethyl ester::CHEMBL108797

SMILES CCOC(=O)c1c(C)nc(-c2ccccc2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1

InChI Key InChIKey=UUPFVAFMSHWOSC-UHFFFAOYSA-N

Data  4 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50054677   

TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50054677(2-Methyl-6-phenyl-4-phenylethynyl-pyridine-3,5-dic...)
Affinity DataKi:  2.75E+3nMAssay Description:Binding affinity against cloned human adenosine A3 receptor by radioligand binding assay using [125I]-AB-MECA.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50054677(2-Methyl-6-phenyl-4-phenylethynyl-pyridine-3,5-dic...)
Affinity DataKi:  1.16E+4nMAssay Description:Binding affinity against adenosine A1 receptor in rat cerebral cortex membrane by radioligand binding assay using [3H](R)-PIA.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/3/2012
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50054677(2-Methyl-6-phenyl-4-phenylethynyl-pyridine-3,5-dic...)
Affinity DataKi:  1.16E+4nMAssay Description:Binding affinity for adenosine A1 receptor as displacement of [3H]R-PIA from rat brain membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50054677(2-Methyl-6-phenyl-4-phenylethynyl-pyridine-3,5-dic...)
Affinity DataKi:  4.30E+4nMAssay Description:Binding affinity for adenosine A2A receptor as displacement of [3H]-CGS- 21680 from rat striatal membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed