BDBM50118803 (2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylamino)-purin-9-yl]-1-oxa-7-aza-spiro[4.4]nonan-6-one::3,4-Dihydroxy-2-[6-(3-iodo-benzylamino)-purin-9-yl]-1-oxa-7-aza-spiro[4.4]nonan-6-one::CHEMBL344187

SMILES O[C@@H]1[C@H](O)[C@]2(CCNC2=O)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12

InChI Key InChIKey=GFHAZFGYXHKHAK-AHMDFLBRSA-N

Data  11 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50118803   

TargetAdenosine receptor A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50118803((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Affinity DataKi:  24nMAssay Description:Binding affinity in membrane of CHO cell stably expressing recombinant human Adenosine A3 receptor in the presence of GTPgammaS using [3H]8-ethyl-4-m...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
LigandPNGBDBM50118803((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Affinity DataKi:  26nMAssay Description:Bnding affinity in membrane of CHO cell stably expressing recombinant human Adenosine A3 receptor using [3H]8-ethyl-4-methyl-2-phenyl-(8R)-4,5,7,8-te...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
LigandPNGBDBM50118803((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Affinity DataKi:  29nMAssay 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 A3(Homo sapiens (Human))
National Institute Of Diabetes And Digestive And Kidney Diseases

Curated by ChEMBL
LigandPNGBDBM50118803((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Affinity DataKi:  29.3nMAssay Description:Affinity for human Adenosine A3 receptor expressed in CHO cellMore 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
LigandPNGBDBM50118803((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Affinity DataKi:  29.3nMAssay Description:Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed 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
LigandPNGBDBM50118803((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Affinity DataKi:  49nMAssay Description:Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor expressed on CHO cellMore 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
LigandPNGBDBM50118803((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Affinity DataKi:  51nMAssay Description:Binding affinity of adenosine derivative for endogenous rat Adenosine A3 receptor of RBL-2H3More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50118803((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Affinity DataKi:  1.21E+4nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50118803((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Affinity DataKi:  1.21E+4nMAssay 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 A2a(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50118803((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Affinity DataKi:  2.98E+4nMAssay Description:Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50118803((2R,3R,4S,5S)-3,4-dihydroxy-2-[6-(3-iodo-benzylami...)
Affinity DataKi:  2.98E+4nMAssay 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
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