Compile Data Set for Download or QSAR
Report error Found 186 Enz. Inhib. hit(s) with all data for entry = 50044280
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-[6-Amino-2-((S)-1-hydroxymethyl-2-...)
Affinity DataEC50:  9nMAssay Description:Agonist activity at adenosine receptor A2a (unknown origin) assessed as cAMP formationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-[6-Amino-2-((S)-1-hydroxymethyl-2-...)
Affinity DataEC50:  10nMAssay Description:Agonist activity at adenosine receptor A2a in isolated rat aorta assessed as efficacyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50048466(CHEMBL17127 | SCH58261 | 2-(furan-2-yl)-7-phenethy...)
Affinity DataKd:  0.700nMAssay Description:Binding affinity to adenosine receptor A2a in rat striatumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50094037(SCH-442416 | 2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-...)
Affinity DataKd:  0.0480nMAssay Description:Binding affinity to adenosine receptor A2a in rat striatumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM14487([U-14C]adenosine | CHEMBL477 | cid_60961 | (2R,3R,...)
Affinity DataEC50:  700nMAssay Description:Agonist activity at human recombinant adenosine receptor A2a by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM14487([U-14C]adenosine | CHEMBL477 | cid_60961 | (2R,3R,...)
Affinity DataEC50:  2.40E+4nMAssay Description:Agonist activity at human recombinant adenosine receptor A2b by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM21220(CHEMBL464859 | N-Ethylcarboxamidoadenosine | Adeno...)
Affinity DataEC50:  330nMAssay Description:Agonist activity at human recombinant adenosine receptor A2b by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009263(CHEMBL75416 | 5-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Affinity DataEC50:  6.10E+3nMAssay Description:Agonist activity at human recombinant adenosine receptor A2b by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM35804(3-(4-{2-[6-Amino-9-((2R,3R,4S,5S)-5-ethylcarbamoyl...)
Affinity DataEC50:  3.61E+5nMAssay Description:Agonist activity at human recombinant adenosine receptor A2b by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50364045(CHEMBL1950554)
Affinity DataEC50: >1.00E+5nMAssay Description:Agonist activity at human recombinant adenosine receptor A2b by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50119132(1-[6-Amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-hydrox...)
Affinity DataEC50:  1.00E+4nMAssay Description:Agonist activity at human recombinant adenosine receptor A2b by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-[6-Amino-2-((S)-1-hydroxymethyl-2-...)
Affinity DataEC50:  1.30E+3nMAssay Description:Agonist activity at human recombinant adenosine receptor A2b by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50364043(CHEMBL1950553)
Affinity DataEC50:  1.00E+4nMAssay Description:Agonist activity at human recombinant adenosine receptor A2b by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM14487([U-14C]adenosine | CHEMBL477 | cid_60961 | (2R,3R,...)
Affinity DataEC50:  310nMAssay Description:Agonist activity at human recombinant adenosine A1 receptor by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM14487([U-14C]adenosine | CHEMBL477 | cid_60961 | (2R,3R,...)
Affinity DataEC50:  290nMAssay Description:Agonist activity at human recombinant adenosine A3 receptor by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50237064(N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Affinity DataIC50: 1.20E+3nMAssay Description:Inhibition of human ERG channel by patch-clamp assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM21188(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50317007(2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5...)
Affinity DataKi:  0.100nMAssay Description:Antagonist activity at human recombinant adenosine receptor A2a by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50237064(N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfur...)
Affinity DataKi:  0.400nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM26256(N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[6-(4-methox...)
Affinity DataKi:  0.400nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50317007(2-amino-4-(furan-2-yl)-5H-indeno[1,2-d]pyrimidin-5...)
Affinity DataKi:  0.400nMAssay Description:Antagonist activity at human recombinant adenosine A1 receptor by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004566(CHEMBL268431 | 9-chloro-2-(furan-2-yl)-[1,2,4]tria...)
Affinity DataKi:  0.400nMAssay Description:Inhibition of rat recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50364063(CHEMBL1950649)
Affinity DataKi:  0.5nMAssay Description:Binding affinity to human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50202986(SCH-420814 | 7-(2-(4-(2,4-difluorophenyl)piperazin...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50202986(SCH-420814 | 7-(2-(4-(2,4-difluorophenyl)piperazin...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50232154(N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-ace...)
Affinity DataKi:  0.600nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM21190(CHEMBL113142 | 4-(2-{[5-amino-2-(furan-2-yl)-[1,2,...)
Affinity DataKi:  0.800nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50202773(8-(furan-2-yl)-3-(2-(4-(4-(2-methoxyethoxy)phenyl)...)
Affinity DataKi:  0.900nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50239036(2-amino-N-benzyl-6-(furan-2-yl)-9H-purine-9-carbox...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50048466(CHEMBL17127 | SCH58261 | 2-(furan-2-yl)-7-phenethy...)
Affinity DataKi:  1.10nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50254013(3-(4-Amino-3-methylbenzyl)-7-(2-furyl)-3H-[1,2,3]t...)
Affinity DataKi:  1.30nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50238959(2-isopropyl-4-(thiazol-2-yl)thieno[3,2-d]pyrimidin...)
Affinity DataKi:  1.40nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009525(2-CI Adenosine | 2-Chloroadenosine | CHEMBL285819 ...)
Affinity DataKi:  1.40nMAssay Description:Binding affinity to human recombinant adenosine A1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50377559(CHEMBL259832)
Affinity DataKi:  1.70nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50294501(2-amino-6-(furan-2-yl)-N-((6-(methoxymethyl)pyridi...)
Affinity DataKi:  1.70nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50256417(3-(5-amino-7-((2-(4-(2,4-difluorophenyl)piperazin-...)
Affinity DataKi:  1.80nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50394715(CHEMBL2165804)
Affinity DataKi:  1.80nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50242873(2-Furan-2-yl-7-[2-(3-methyl-7,8-dihydro-5H-[1,6]na...)
Affinity DataKi:  2nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50252113(2-Furan-2-yl-7-[2-(2-methyl-quinolin-6-yl)-ethyl]-...)
Affinity DataKi:  2.40nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A3(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50009263(CHEMBL75416 | 5-(6-Amino-2-hex-1-ynyl-purin-9-yl)-...)
Affinity DataKi:  2.40nMAssay Description:Binding affinity to human recombinant adenosine A3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM35829(pyrimidine-4-carboxamide, 111)
Affinity DataKi:  2.5nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011298(CHEMBL3260730 | US9029393, 101)
Affinity DataKi:  3nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50382498(CHEMBL2024119 | US10988455, Example 1(ccix))
Affinity DataKi:  3.5nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A1(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004566(CHEMBL268431 | 9-chloro-2-(furan-2-yl)-[1,2,4]tria...)
Affinity DataKi:  3.5nMAssay Description:Inhibition of rat recombinant adenosine A1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011299(CHEMBL3260731 | US9029393, 113)
Affinity DataKi:  4nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Rat)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50152240(N*5*-{2-[4-(2,4-Difluoro-phenyl)-piperazin-1-yl]-e...)
Affinity DataKi:  4nMAssay Description:Inhibition of rat recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011305(CHEMBL3260724)
Affinity DataKi:  4nMAssay Description:Binding affinity to human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50330987(CHEMBL1087189 | 2-amino-4-phenyl-8-(pyrrolidin-1-y...)
Affinity DataKi:  4.10nMAssay Description:Antagonist activity at human recombinant adenosine receptor A2a by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50316894(2-amino-8-(2-morpholinoethylamino)-4-phenyl-5H-ind...)
Affinity DataKi:  4.40nMAssay Description:Antagonist activity at human recombinant adenosine receptor A2a by cAMP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
TargetAdenosine receptor A2a(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011293(CHEMBL3260726)
Affinity DataKi:  5nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2015
Entry Details Article
PubMed
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