Compile Data Set for Download or QSAR

Found 12 hits of Enzyme Inhibition Constant Data   

TargetAdenosine receptor A3(Homo sapiens (Human))
IIQAB (CSIC)

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)copy SMILEScopy InChI
Affinity DataKi:  4nMAssay Description:Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5TR9PubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
IIQAB (CSIC)

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)copy SMILEScopy InChI
Affinity DataKi:  5nMAssay Description:Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5TR9PubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
IIQAB (CSIC)

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)copy SMILEScopy InChI
Affinity DataKi:  50nMAssay Description:Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
IIQAB (CSIC)

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)copy SMILEScopy InChI
Affinity DataKi:  68nMAssay Description:Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5TR9PubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
IIQAB (CSIC)

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)copy SMILEScopy InChI
Affinity DataKi:  130nMAssay Description:Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
IIQAB (CSIC)

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)copy SMILEScopy InChI
Affinity DataKi:  302nMAssay Description:Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5TR9PubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
IIQAB (CSIC)

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)copy SMILEScopy InChI
Affinity DataKi:  760nMAssay Description:Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
IIQAB (CSIC)

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+4nMAssay Description:Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5TR9PubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
IIQAB (CSIC)

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)copy SMILEScopy InChI
Affinity DataEC50:  50nMAssay Description:Potency against cAMP formation in CHO cells expressing recombinant human A2A receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
IIQAB (CSIC)

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)copy SMILEScopy InChI
Affinity DataEC50:  34nMAssay Description:Efficacy against phenylephrine precontracted tissue relaxation in rat aortaMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
IIQAB (CSIC)

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)copy SMILEScopy InChI
Affinity DataEC50:  250nMAssay Description:Relative efficacy against phenylephrine precontracted tissue relaxation in Guinea pig aortaMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
IIQAB (CSIC)

Curated by ChEMBL
LigandPNGBDBM21220((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...)copy SMILEScopy InChI
Affinity DataEC50:  440nMAssay Description:Potency against cAMP formation in CHO cells expressing recombinant human A2B receptorMore data for this Ligand-Target Pair
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