BDBM50074231 4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicotinic acid ethyl ester::CHEMBL321845::ethyl 4,6-diethyl-5-(ethylthiocarbonyl)-2-phenylnicotinate

SMILES CCOC(=O)c1c(CC)c(C(=O)SCC)c(CC)nc1-c1ccccc1

InChI Key InChIKey=WYZGZKCWULQWSH-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50074231   

TargetAdenosine receptor A3(Human)
Università

Curated by ChEMBL
LigandPNGBDBM50074231(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Affinity DataKi:  13.4nMAssay Description:Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Università

Curated by ChEMBL
LigandPNGBDBM50074231(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Affinity DataKi:  20nMAssay Description:Displacement of specific [125 I]AB-MECA binding at 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 A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074231(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Affinity DataKi:  41nMAssay Description:Displacement of specific [3H]-CGS- 21680R-PIA binding to Adenosine A1 receptor in rat brain membranes.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosine receptor A3(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074231(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Affinity DataKi:  410nMAssay Description:Displacement of specific [125I]AB-MECA binding at rat Adenosine A3 receptor stably expressed in CHO 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
LigandPNGBDBM50074231(4,6-Diethyl-5-ethylsulfanylcarbonyl-2-phenyl-nicot...)
Affinity DataKi:  6.13E+3nMAssay Description:Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed