BDBM50106539 (2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-(2-aminoethyl)-3,4-dihydroxy-tetrahydrofuran-2-carboxamide::5'-N-[(2-AMINO)ETHYL CARBOXAMIDO] ADENOSINE::5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-furan-2-carboxylic acid (2-amino-ethyl)-amide::Adenosine analog, 1::CHEMBL129903

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

InChI Key InChIKey=XZUQLQNOMFGRFJ-FLNNQWSLSA-N

Data  25 KI  1 EC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50106539   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  3.60nMAssay Description:Binding affinity against Q89D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385 More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  4.40nMAssay Description:Binding affinity against T88D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  9.60nMAssay Description:Binding affinity at Mutant (H272E) human adenosine A3 receptor expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi: >10nMAssay Description:Binding affinity at rat brain Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi: >10nMAssay Description:Binding affinity at rat brain Adenosine A2A receptor in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  14.7nMAssay Description:Binding affinity at rat adenosine A3 receptor in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  19.6nMAssay Description:Binding affinity at wild-type Adenosine A3 receptor expressed in COS-7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  41nMAssay Description:Binding affinity against S277E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  46.1nMAssay Description:Binding affinity against WT human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  57nMAssay Description:Binding affinity against T88E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  72nMAssay Description:Binding affinity against H278E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  121nMAssay Description:Binding affinity against H278D human adenosine A2A receptor stably transfected in CHO cells using [3H]- ZM-241385 as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target2-oxoglutarate receptor 1(Rattus norvegicus)
Hokkaido University

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  167nMAssay 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 A1(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  245nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  493nM ΔG°:  -8.60kcal/molepH: 7.4 T: 2°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  3.12E+3nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  3.12E+3nMAssay Description:Displacement of 3[H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cells after 60 mins by Liquid scintillation analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  3.60E+3nM ΔG°:  -7.42kcal/molepH: 7.4 T: 2°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  4.40E+3nM ΔG°:  -7.30kcal/molepH: 7.4 T: 2°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  1.47E+4nMAssay 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 A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  1.96E+4nMAssay Description:Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cells after 60 mins gamma counterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Niddk

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi:  4.61E+4nM ΔG°:  -5.91kcal/molepH: 7.4 T: 2°CAssay Description:Binding affinity of ligand at WT and mutant human A2A ARs expressed in COS7 cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [125I]I-AB-MECA from wild type adenosine A3 receptor expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi: >1.00E+5nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataKi: >1.00E+5nMAssay Description:Displacement of [125I]I-AB-MECA from human adenosine A3 receptor H272E mutant expressed in COS7 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
National Institutes Of Health

LigandPNGBDBM50106539((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...)
Affinity DataEC50:  1.56E+4nMAssay Description:Binding affinity of ligand at human adenosine receptors expressed in CHO cell. More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed