BDBM21868 2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-one::9-(4-hydroxybutyl)guanine::CHEMBL258513::HBG

SMILES Nc1nc2n(CCCCO)cnc2c(=O)[nH]1

InChI Key InChIKey=DVQJDXCYEPGOCF-UHFFFAOYSA-N

Data  2 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 21868   

TargetThymidine kinase, cytosolic(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM21868(2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...)
Affinity DataKi:  2.06E+3nMAssay Description:Binding affinity of the compound towards HSV-1 thymidine kinase was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPurine nucleoside phosphorylase(Rat)
Southern Research Institute

Curated by ChEMBL
LigandPNGBDBM21868(2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...)
Affinity DataKi:  7.70E+4nMAssay Description:Tested for its ability to inhibit calf spleen purine nucleoside phosphorylase (PNP)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidine kinase(CeHV-1)
Glsynthesis

Curated by ChEMBL
LigandPNGBDBM21868(2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...)
Affinity DataIC50:  1.77E+5nMAssay Description:Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidine kinase(HHV-1)
Glsynthesis

LigandPNGBDBM21868(2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...)
Affinity DataIC50:  6.00E+4nMpH: 7.5 T: 37°CAssay Description:Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidine kinase(HHV-2)
Glsynthesis

LigandPNGBDBM21868(2-amino-9-(4-hydroxybutyl)-6,9-dihydro-3H-purin-6-...)
Affinity DataIC50:  1.60E+5nMAssay Description:Recombinant HSV TKs were assayed in reaction mixture containing substrate [3H-methyl]TdR and test compounds. After reaction was stopped, the radioact...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed