Compile Data Set for Download or QSAR
maximum 50k data
Found 39 Enz. Inhib. hit(s) with all data for entry = 50047101
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50117215(5-Butyl-8-(4-trifluoromethyl-phenyl)-3H-[1,2,4]tri...)
Affinity DataKi:  0.610nMAssay Description:Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM108255(US8609833, 86)
Affinity DataKi:  0.970nMAssay Description:Binding affinity to adenosine A1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM21190(4-(2-{[5-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-...)
Affinity DataKi:  1.60nMAssay Description:Displacement of [3H]-ZM241385 from human adenosine A2A receptor by scintillation spectroscopyMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50118812((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Affinity DataKi:  1.80nMAssay Description:Binding affinity to adenosine A3 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50118810((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Affinity DataKi:  2nMAssay Description:Binding affinity to adenosine A1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM25400((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...)
Affinity DataKi:  5.90nMAssay Description:Binding affinity to adenosine A1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148580(CHEMBL3770601)
Affinity DataKi:  14nMAssay Description:Displacement of [3H]-PIA from human recombinant adenosine A1 receptor after 60 mins by gamma counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50118810((2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenyl...)
Affinity DataKi:  16nMAssay Description:Binding affinity to adenosine A3 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
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 A2a(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148580(CHEMBL3770601)
Affinity DataKi:  20nMAssay Description:Displacement of [3H]CGS21680 from human recombinant adenosine 2A receptor after 60 mins by gamma counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148580(CHEMBL3770601)
Affinity DataKi:  25nMAssay Description:Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataKi:  27nMAssay Description:Displacement of [3H]CGS21680 from human recombinant adenosine 2A receptor after 60 mins by gamma counting analysisMore data for this Ligand-Target Pair
TargetTransmembrane domain-containing protein TMIGD3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148601(CHEMBL3771367)
Affinity DataKi:  31nMAssay Description:Displacement of [125I]AB-MECA from human brain adenosine A3 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50453216(2-(l-hexyn-l-yl)adenosine (8, YT-146) | CHEMBL2113...)
Affinity DataKi:  32nMAssay Description:Displacement of [3H]-CGS2168 from human recombinant adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148599(CHEMBL3770782)
Affinity DataKi:  49nMAssay Description:Displacement of [3H]-CGS2168 from human recombinant adenosine A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50118812((2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-(3-iodo-benzylami...)
Affinity DataKi:  51nMAssay Description:Binding affinity to adenosine A1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM35804((CGS21680) 3-(4-{2-[6-Amino-9-(5-ethylcarbamoylmet...)
Affinity DataKi:  67nMAssay Description:Displacement of [125I]I-AB-MECA from recombinant human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransmembrane domain-containing protein TMIGD3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148600(CHEMBL3770003)
Affinity DataKi:  108nMAssay Description:Displacement of [125I]AB-MECA from human brain adenosine A3 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148580(CHEMBL3770601)
Affinity DataKi:  140nMAssay Description:Agonist activity at recombinant human adenosine A2B receptor assessed as cAMP accumulation preincubated for 45 mins followed by forskolin addition me...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148602(CHEMBL3770194)
Affinity DataKi:  910nMAssay Description:Antagonist activity at human adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 2(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148579(CHEMBL3770836)
Affinity DataIC50:  1.10nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 1(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148579(CHEMBL3770836)
Affinity DataIC50:  1.20nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 2(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148578(CHEMBL3770730)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 2(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM25474(JMC516642 Compound 5 | N-{2-[2-(dimethylamino)etho...)
Affinity DataIC50:  3nMAssay Description:Inhibition of ROCK2 (unknown origin) using STK2 as substrate after 1 hrMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 1(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148578(CHEMBL3770730)
Affinity DataIC50:  6nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 2(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50087135(CHEMBL3426621)
Affinity DataIC50:  19nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetTransmembrane domain-containing protein TMIGD3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50118803((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Affinity DataIC50:  42nMAssay 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
TargetRho-associated protein kinase 1(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50087135(CHEMBL3426621)
Affinity DataIC50:  51nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 1(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM25474(JMC516642 Compound 5 | N-{2-[2-(dimethylamino)etho...)
Affinity DataIC50:  56nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRho-associated protein kinase 2(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148577(CHEMBL1994526)
Affinity DataIC50:  140nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
TargetRho-associated protein kinase 1(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148577(CHEMBL1994526)
Affinity DataIC50:  200nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
TargetRho-associated protein kinase 1(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Affinity DataIC50:  260nMAssay Description:Inhibition of ROCK1 (unknown origin)More data for this Ligand-Target Pair
TargetRho-associated protein kinase 2(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM14027(5-(1,4-diazepan-1-ylsulfonyl)isoquinoline | 5-(1,4...)
Affinity DataIC50:  320nMAssay Description:Inhibition of ROCK2 (unknown origin)More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50148598(ATL-313 | DE-112 | Evodenoson)
Affinity DataKd:  0.700nMAssay Description:Displacement of 2-[2-(4-amino-3-[125I]iodophenyl)ethylamino]adenosine from human recombinant adenosine A2A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataEC50:  310nMAssay Description:Agonist activity at human adenosine A1 receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioinos...More data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataEC50:  730nMAssay Description:Agonist activity at human adenosine A2A receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioino...More data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataEC50:  290nMAssay Description:Agonist activity at human adenosine A3 receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioinos...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetAdenosine receptor A1(Rattus norvegicus (rat))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM50009552(2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...)
Affinity DataKd:  1.30nMAssay Description:Displacement of [3H] CGS 21680 from rat hippocampus adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Georgia Institute Of Technology

Curated by ChEMBL
LigandPNGBDBM14487((2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataEC50:  2.35E+4nMAssay Description:Agonist activity at human adenosine A2B receptor transfected in CHO cells assessed as changes in cAMP formation in the presence of nitrobenzylthioino...More data for this Ligand-Target Pair