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

SMILES c1ccc(cc1)NC2=Nc3c(ncn3CCCCO)C(=O)N2

InChI Key InChIKey=JHBXNPBKSPYOFT-UHFFFAOYSA-N

Data  1 KI  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 21866   

TargetThymidine kinase(HHV-1)
Glsynthesis

LigandPNGBDBM21866(CHEMBL406254 | 2-phenylamino-9-(4-hydroxybutyl)-6-...)
Affinity DataIC50: 1.30E+3nMpH: 7.5 T: 2°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 Depth
Date in BDB:
4/30/2008
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThymidine kinase(HHV-2)
Glsynthesis

LigandPNGBDBM21866(CHEMBL406254 | 2-phenylamino-9-(4-hydroxybutyl)-6-...)
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 Depth
Date in BDB:
4/30/2008
Entry Details Article
PubMed
TargetThymidine kinase(HHV-1)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM21866(CHEMBL406254 | 2-phenylamino-9-(4-hydroxybutyl)-6-...)
Affinity DataIC50: 160nMAssay Description:Inhibition of HSV-1 thymidine kinase, 1 uM [3H]thymidine and ATP as phosphate donorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetThymidine kinase(HHV-2)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM21866(CHEMBL406254 | 2-phenylamino-9-(4-hydroxybutyl)-6-...)
Affinity DataIC50: 2.15E+3nMAssay Description:Inhibition of HSV-2 thymidine kinase, 2 uM [3H]thymidine and ATP as phosphate donorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetThymidine kinase(CeHV-1)
Glsynthesis

Curated by ChEMBL
LigandPNGBDBM21866(CHEMBL406254 | 2-phenylamino-9-(4-hydroxybutyl)-6-...)
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 Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
TargetThymidine kinase, cytosolic(Human)
University of Massachusetts Medical School

Curated by ChEMBL
LigandPNGBDBM21866(CHEMBL406254 | 2-phenylamino-9-(4-hydroxybutyl)-6-...)
Affinity DataKi:  50nMAssay Description:Binding affinity towards HSV-1 thymidine kinase was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed