BDBM50081678 2-Cyclobutyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-pyridinium; iodide::CHEMBL340552

SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(C2CCC2)[n+](C)c1-c1ccccc1

InChI Key InChIKey=TXHVSWXZNWCEIS-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 = 50081678   

TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50081678(2-Cyclobutyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfa...)
Affinity DataKi:  1.41E+3nMAssay Description:Displacement of [3H]AB-MECA from human Adenosine A3 receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50081678(2-Cyclobutyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfa...)
Affinity DataKi:  3.32E+4nMAssay Description:Displacement of [3H]CGS-21680 from Adenosine A2A receptor of rat striatal membranes.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50081678(2-Cyclobutyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfa...)
Affinity DataKi:  8.80E+4nMAssay Description:Displacement of [3H]R-PIA from Adenosine A1 receptor of rat brain membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed