BDBM50088426 (1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol::3-(6-Amino-purin-9-yl)-5-hydroxymethyl-cyclopentane-1,2-diol::CHEMBL49935

SMILES Nc1ncnc2n(cnc12)[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=UGRNVLGKAGREKS-GCXDCGAKSA-N

Data  7 KI  4 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  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 = 50088426   

TargetAdenosylhomocysteinase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50088426((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi:  110nMAssay Description:Binding affinity against S-adenosyl-homocysteine hydrolaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088426((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi:  2.15E+3nMAssay Description:Displacement of specific [3H]-CGS- 21680 binding to adenosine A2A receptor in rat striatal membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Rattus norvegicus (rat))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088426((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi:  6.26E+3nMAssay Description:Displacement of [3H]R-PIA from rat brain membrane Adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine deaminase(Mus musculus)
TBA

Curated by ChEMBL
LigandPNGBDBM50088426((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi:  9.90E+3nMAssay Description:Compound was evaluated for competitive inhibition of adenosine deaminase and expressed as KiMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088426((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi:  2.00E+4nMAssay Description:Displacement of [125I]- AB-MECA from rat adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088426((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi:  4.73E+4nMAssay Description:Displacement of [3H]- ZM-241385 from human adenosine A2B receptor expressed in HEK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A3(Rattus norvegicus)
National Institute Of Diabetes

Curated by ChEMBL
LigandPNGBDBM50088426((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataKi:  2.00E+5nMAssay Description:Binding affinity determined by displacement of specific binding of [125I]N-(4-amino-3-iodophenethyl)-adenosine in membranes of CHO cells stably trans...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50088426((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataIC50:  1.32E+3nMAssay Description:Inhibition of human placental SAH hydrolase expressed in Escherichia coli JM109 using SAH as substrate preincubated for 10 mins followed by SAH addit...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50088426((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataIC50:  303nMAssay Description:Inhibition of recombinant human AHCY using SAH as substrate assessed as formation of homocysteine after 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50088426((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataIC50:  4.85E+3nMAssay Description:Inhibition of human SAHHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGenome polyprotein(Zika virus)
Seoul National University

Curated by ChEMBL
LigandPNGBDBM50088426((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataEC50:  640nMAssay Description:Inhibition of RNA-dependent RNA polymerase in ZIKV SL0612 infected in African green monkey Vero cells assessed as reduction in virus-induced cytopath...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Plasmodium falciparum 3D7)
Gifu University

Curated by ChEMBL
LigandPNGBDBM50088426((1R,2S,3R,5R)-3-(6-amino-9H-purin-9-yl)-5-(hydroxy...)
Affinity DataIC50:  5.70E+4nMAssay Description:Inhibition of Plasmodium falciparum SAHHMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed