BDBM50407975 CHEMBL519809

SMILES CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12

InChI Key InChIKey=PLYRYAHDNXANEG-QMWPFBOUSA-N

Data  15 KI  1 IC50  2 Kd  3 EC50

PDB links: 1 PDB ID matches this monomer.

  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 21 hits for monomerid = 50407975   

TargetAdenosine receptor A3(Homo sapiens (Human))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  24nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from human A3A adenosine receptor expressed in CHO cell membranes after ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  37nMAssay Description:Displacement of [3H]N6-R-phenylisopropyladenosine from human A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation pr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target2-oxoglutarate receptor 1(Rattus norvegicus)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  51nMAssay Description:Binding activity of P3 purinoceptor-like protein (P3LP) using radioligand 40 nM [3H]NECA from rat brain membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  63nMAssay Description:Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5-N-methyluronamide from rat A3A adenosine receptor expressed in CHO cell membranes after 60...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  67nMAssay Description:Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from rat A2A adenosine receptor expressed in HEK293 cell mem...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  71nMAssay Description:Binding to Adenosine A2 receptor was measured in ADA-pretreated rat striatal membranes using [3H]-CGS- 21680More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  72nMAssay Description:Binding affinity for recombinant rat A3-adenosine receptor by the displacement of specific [125I]APNEA or [125I]-N6-(4-amino-3-iodobenzyl)-adenosine-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  84nMAssay Description:Binding affinity for A1-adenosine receptor by the displacement of specific [3H]-PIA binding in rat brain was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  84nMAssay Description:Displacement of [3H]N6-R-phenylisopropyladenosine from rat A1A adenosine receptor expressed in CHO cell membranes after 60 mins by scintillation prox...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  101nMAssay Description:Adenosine A1 receptor binding was measured in adenosine deaminase (ADA) pretreated rat cortical membranes using [3H]cyclohexyladenosine in the presen...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndoplasmin(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  130nMAssay Description:Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  466nMAssay Description:Displacement of [3H]2-[p-(2-carboxyethyl)phenylethylamino]-5-N-ethylcarboxamidoadenosine from human A2A adenosine receptor expressed in HEK293 cell m...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  1.70E+3nMAssay Description:Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
Brigham Young University

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi:  1.93E+3nMAssay Description:Inhibition of S-adenosyl-L-homocysteine hydrolase, inactivation rate constant.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta s...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Rattus norvegicus)
Ciba-Geigy

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataEC50:  720nMAssay Description:Potency against PC12 cell A2 adenosine receptor by adenylate cyclase activationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
Medical College Of Wisconsin

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataEC50:  38nMAssay Description:Agonist activity at human adenosine A3 receptor expressed in CHO cells assessed as inhibition of cAMP productionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEndoplasmin(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKd:  620nMAssay Description:Displacement of FITC-geldanamycin from GRP94 (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataIC50:  105nMAssay Description:Potency against rat brain adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHeat shock protein HSP 90-alpha(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataKd:  2.80E+4nMAssay Description:Displacement of FITC-geldanamycin from HSP90alpha (unknown origin) after 24 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a/A2b(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50407975(CHEMBL519809)
Affinity DataEC50:  1.70E+3nMAssay Description:Potency against human platelet A2 adenosine receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed