BDBM50081672 2-Butyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfanylcarbonyl-1-methyl-6-phenyl-pyridinium; iodide::CHEMBL337088

SMILES CCCCc1c(C(=O)SCC)c(CC)c(C(=O)OCC)c(-c2ccccc2)[n+]1C

InChI Key InChIKey=CZJMNOJROPHVEQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50081672   

TargetAdenosine receptor A3(Human)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50081672(2-Butyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfanylca...)
Affinity DataKi:  436nMAssay 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
LigandPNGBDBM50081672(2-Butyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfanylca...)
Affinity DataKi:  6.02E+3nMAssay 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
LigandPNGBDBM50081672(2-Butyl-5-ethoxycarbonyl-4-ethyl-3-ethylsulfanylca...)
Affinity DataKi:  1.45E+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