BDBM21885 2,9-disubstituted 6-oxopurine, 12i::9-[4-(decahydroquinolin-1-yl)butyl]-2-(phenylamino)-6,9-dihydro-3H-purin-6-one dihydrochloride

SMILES O=c1[nH]c(Nc2ccccc2)nc2n(CCCCN3CCCC4CCCCC34)cnc12

InChI Key InChIKey=WHNWGLBSXQAFNX-UHFFFAOYSA-N

Data  2 KI  2 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 2 hits for monomerid = 21885   

TargetThymidine kinase(HHV-2)
Glsynthesis

LigandPNGBDBM21885(9-[4-(decahydroquinolin-1-yl)butyl]-2-(phenylamino...)
Affinity DataKi:  5nM IC50: 13nMAssay 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)
Glsynthesis

LigandPNGBDBM21885(9-[4-(decahydroquinolin-1-yl)butyl]-2-(phenylamino...)
Affinity DataKi:  30nM ΔG°:  -10.7kcal/mole IC50: 150nMpH: 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
PubMed