BDBM50066281 2-Cyclobutyl-6-methyl-4-phenylethynyl-pyridine-3,5-dicarboxylic acid 3-benzyl ester 5-ethyl ester::CHEMBL322332

SMILES CCOC(=O)c1c(C)nc(C2CCC2)c(C(=O)OCc2ccccc2)c1C#Cc1ccccc1

InChI Key InChIKey=ZYFPVLHPFIAZGV-UHFFFAOYSA-N

Data  3 KI

  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 3 hits for monomerid = 50066281   

TargetAdenosine receptor A3(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50066281(2-Cyclobutyl-6-methyl-4-phenylethynyl-pyridine-3,5...)
Affinity DataKi:  1.90E+3nMAssay Description:Binding affinity for adenosine A3 receptor as displacement of [125I]AB-MECA from CHO cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/8/2012
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50066281(2-Cyclobutyl-6-methyl-4-phenylethynyl-pyridine-3,5...)
Affinity DataKi:  2.41E+3nMAssay Description:Binding affinity at human Adenosine A3 receptor as displacement of [125I]AB-MECA from HEK293 cell 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
LigandPNGBDBM50066281(2-Cyclobutyl-6-methyl-4-phenylethynyl-pyridine-3,5...)
Affinity DataKi:  2.76E+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