BDBM50240561 (2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(hydroxymethyl)-tetrahydrofuran-3,4-diol::(2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol::(2R,3R,4S,5R)-2-(6-Benzylsulfanyl-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::6-Benzylthioinosine::CHEMBL60662

SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(SCc3ccccc3)ncnc12

InChI Key InChIKey=OMJRXFOHHLLDFR-LSCFUAHRSA-N

Data  5 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50240561   

TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Sciences Center

Curated by ChEMBL
LigandPNGBDBM50240561((2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(...)
Affinity DataKi:  19.9nMAssay Description:Inhibition of human ENT1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Sciences Center

Curated by ChEMBL
LigandPNGBDBM50240561((2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(...)
Affinity DataKi:  53nMAssay Description:Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Toxoplasma gondii)TBA
LigandPNGBDBM50240561((2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(...)
Affinity DataKi:  2.40E+3nMAssay Description:Inhibition of Toxoplasma gondii adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAdenosine kinase(Toxoplasma gondii)TBA
LigandPNGBDBM50240561((2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(...)
Affinity DataKi:  1.43E+4nMAssay Description:Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Toxoplasma gondii)TBA
LigandPNGBDBM50240561((2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(...)
Affinity DataKi:  3.77E+4nMAssay Description:Binding affinity to purified Toxoplasma gondii adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine kinase(Toxoplasma gondii)TBA
LigandPNGBDBM50240561((2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(...)
Affinity DataIC50:  9.29E+3nMAssay Description:Inhibition of Toxoplasma gondii adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAdenosine kinase(Toxoplasma gondii)TBA
LigandPNGBDBM50240561((2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(...)
Affinity DataIC50:  9.30E+3nMAssay Description:Inhibition of Toxoplasma gondii adenosine kinaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetEquilibrative nucleoside transporter 1(Homo sapiens (Human))
University Of Tennessee Health Sciences Center

Curated by ChEMBL
LigandPNGBDBM50240561((2R,3R,4S,5R)-2-(6-(benzylthio)-9H-purin-9-yl)-5-(...)
Affinity DataIC50:  1.70E+3nMAssay Description:Binding affinity to ENT1 transporterMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed