BDBM50074225 6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-nicotinic acid propyl ester::CHEMBL111545

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

InChI Key InChIKey=UUSHFEVEROROSP-UHFFFAOYSA-N

Data  20 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50074225   

TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  18.9nMAssay 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 DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  19nMAssay Description:Antagonist activity at adenosine A3 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetTransmembrane domain-containing protein TMIGD3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  19nMAssay Description:Antagonist activity at adenosine A3 receptor in human NPE cells assessed as inhibition of adenosine-triggered cell shrinkageMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  19nMAssay Description:Displacement of [3H]PSB-11 from human adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  44nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  113nMAssay 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 DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  113nMAssay Description:Displacement of [3H]NECA from rat adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  216nMAssay Description:Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  234nMAssay Description:Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor expressed on CHO cellMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  238nMAssay Description:Binding affinity towards human Adenosine A3 receptor wild typeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Mus musculus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  349nMAssay Description:Displacement of [125I]I-AB-MECA from mouse adenosine A3 receptor expressed in HEK293 cells incubated for 60 mins by radioligand binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  357nMAssay Description:Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor of RBL-2H3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  2.05E+3nMAssay Description:Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal membranes.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  2.10E+3nMAssay Description:Displacement of [3H]MSX2 from adenosine receptor A2A in rat brain striatum membranes incubated for 30 mins by radioligand competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  2.15E+3nMAssay Description:Binding affinity towards Adenosine A3 receptor (W243 mutant receptor)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  3.66E+3nMAssay Description:Displacement of [3H]MSX2 from human adenosine receptor A2A expressed in HEK293 cell membranes incubated for 30 mins by radioligand competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]PSB-603 from human adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  1.56E+4nMAssay Description:Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
University Of Bonn

Curated by ChEMBL
LigandPNGBDBM50074225(6-Ethyl-5-ethylsulfanylcarbonyl-2-phenyl-4-propyl-...)
Affinity DataKi:  1.56E+4nMAssay 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 DepthDetails ArticlePubMed