BDBM21866 2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine::9-(4-hydroxybutyl)-2-(phenylamino)-6,9-dihydro-3H-purin-6-one::CHEMBL406254::HBPG

SMILES OCCCCn1cnc2c1nc(Nc1ccccc1)[nH]c2=O

InChI Key InChIKey=JHBXNPBKSPYOFT-UHFFFAOYSA-N

Data  1 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 21866   

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

Curated by ChEMBL
LigandPNGBDBM21866(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Affinity DataKi:  50nMAssay Description:Binding affinity of the compound towards HSV-1 thymidine kinase was determinedMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidine kinase(HHV-2)
Glsynthesis

LigandPNGBDBM21866(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Affinity DataIC50:  500nMAssay 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(CeHV-1)
Glsynthesis

Curated by ChEMBL
LigandPNGBDBM21866(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Affinity DataIC50:  1.15E+4nMAssay 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-2)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM21866(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Affinity DataIC50:  2.15E+3nMAssay Description:Inhibition of HSV-2 thymidine kinase, 2 microM [3H]-thymidine and ATP as phosphate donorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetThymidine kinase(HHV-1)
Glsynthesis

LigandPNGBDBM21866(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Affinity DataIC50:  1.30E+3nMpH: 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
TargetThymidine kinase(HHV-1)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM21866(2-phenylamino-9-(4-hydroxybutyl)-6-oxopurine | 9-(...)
Affinity DataIC50:  160nMAssay Description:Inhibition of HSV-1 thymidine kinase, 1 microM [3H]-thymidine and ATP as phosphate donorMore data for this Ligand-Target Pair