BDBM50150766 (2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenylpropan-2-ylamino)-9H-purin-9-yl)-5-(2-ethyl-2H-tetrazol-5-yl)tetrahydrofuran-3,4-diol::(2R,3R,4S,5R)-2-[6-Amino-2-((S)-1-hydroxymethyl-2-phenyl-ethylamino)-purin-9-yl]-5-(2-ethyl-2H-tetrazol-5-yl)-tetrahydro-furan-3,4-diol::CHEMBL186113::GW-328267

SMILES CCn1nnc(n1)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(N[C@H](CO)Cc3ccccc3)nc12

InChI Key InChIKey=FLBKPDIBGNWXMT-NIQZGXKPSA-N

Data  11 KI  2 IC50  1 Kd  11 EC50

  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 25 hits for monomerid = 50150766   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataKi:  2.30nMAssay Description:Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataKi:  16nMAssay Description:Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataKi:  46nMAssay Description:Binding affinity to human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataKi:  46nMAssay Description:Inhibition of [3H]ZM-241385 binding to human adenosine A2A receptor expressed in HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataKi:  92nMAssay Description:Inhibition of [3H]NECA binding to human adenosine A3 receptor expressed in HeLa cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataKi:  92nMAssay Description:Binding affinity to human recombinant adenosine A3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Iiqab (Csic)

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataKi:  369nMAssay Description:Inhibition of [3H]DPCPX binding to human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Iiqab (Csic)

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataKi:  369nMAssay Description:Binding affinity to human recombinant adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Iiqab (Csic)

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataKi:  1.00E+3nMAssay Description:Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Iiqab (Csic)

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataKi:  1.30E+3nMAssay Description:Inhibition of [3H]DPCPX binding to human adenosine A2B receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataEC50:  1nMAssay Description:Agonist activity at human recombinant adenosine A2A receptor expressed in CHO cells assessed as induction of cyclic AMP productionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataKd:  5.01nMAssay Description:Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of Cl-IB-MECA-mediated cyclic AMP productionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Iiqab (Csic)

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataEC50:  950nMAssay Description:Relative efficacy against phenylephrine precontracted tissue relaxation in Guinea pig aortaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Iiqab (Csic)

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataEC50:  10nMAssay Description:Efficacy against phenylephrine precontracted tissue relaxation in rat aortaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataEC50:  8.80nMAssay Description:Potency against cAMP formation in CHO cells expressing recombinant human A2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Iiqab (Csic)

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataEC50:  1.00E+3nMAssay Description:Potency against cAMP formation in CHO cells expressing recombinant human A2B receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Iiqab (Csic)

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataEC50:  51nMAssay Description:Agonist activity at human adenosine A2B receptor expressed in CHO cells assessed as effect on cAMP production by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Iiqab (Csic)

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataEC50:  882nMAssay Description:Agonist activity at human adenosine A1 receptor expressed in CHO cells by GTPPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataIC50:  0.400nMAssay Description:Agonist activity at adenosine A2A receptor in human neutrophils assessed as inhibition of fMLP-induced reactive oxygen species release by chemilumine...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataEC50:  4.20nMAssay Description:Agonist activity at human adenosine A3 receptor expressed in CHO cells by GTPPgammaS binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Iiqab (Csic)

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataEC50:  1.30E+3nMAssay Description:Agonist activity at human recombinant adenosine receptor A2b by cAMP assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataIC50:  5nMAssay Description:Antagonist activity at human adenosine A3 receptor expressed in CHO cells assessed as blockade of Cl-IB-MECA-mediated inhibition of forskolin-stimula...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataEC50:  9nMAssay Description:Agonist activity at adenosine receptor A2a (unknown origin) assessed as cAMP formationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Iiqab (Csic)

Curated by ChEMBL
LigandPNGBDBM50150766((2R,3R,4S,5R)-2-(6-amino-2-((S)-1-hydroxy-3-phenyl...)
Affinity DataEC50:  10nMAssay Description:Agonist activity at adenosine receptor A2a in isolated rat aorta assessed as efficacyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed