BDBM50100407 CHEMBL238635::Octanoic acid 2-[5-((E)-2-bromo-vinyl)-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl]-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-3-yl ester

SMILES CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(\C=C\Br)c(=O)[nH]c1=O

InChI Key InChIKey=RDRKUMOEJLAQLK-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50100407   

TargetThymidine kinase(HHV-1)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50100407(Octanoic acid 2-[5-((E)-2-bromo-vinyl)-2,4-dioxo-3...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibitory concentration against Herpes simplex virus type 1 thymidine kinase(HSV-1 TK)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2012
Entry Details Article
PubMed
TargetThymidine kinase 2, mitochondrial(Human)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50100407(Octanoic acid 2-[5-((E)-2-bromo-vinyl)-2,4-dioxo-3...)
Affinity DataIC50: 6.30E+3nMAssay Description:Inhibitory concentration against mitochondrial thymidine kinase (TK-2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2012
Entry Details Article
PubMed
TargetThymidine kinase, cytosolic(Human)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50100407(Octanoic acid 2-[5-((E)-2-bromo-vinyl)-2,4-dioxo-3...)
Affinity DataIC50: 1.00E+6nMAssay Description:Inhibitory concentration against cytosolic thymidine kinase (TK-1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2012
Entry Details Article
PubMed
TargetThymidine kinase(HHV-3)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50100407(Octanoic acid 2-[5-((E)-2-bromo-vinyl)-2,4-dioxo-3...)
Affinity DataIC50: 7.18E+5nMAssay Description:Inhibitory concentration against Varicella- zoster virus thymidine kinase(VZV TK)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2012
Entry Details Article
PubMed
TargetDeoxynucleoside kinase(Fruit fly)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50100407(Octanoic acid 2-[5-((E)-2-bromo-vinyl)-2,4-dioxo-3...)
Affinity DataIC50: 1.78E+5nMAssay Description:Inhibitory concentration against Drosophila melanogaster deoxyribonucleoside kinase (Dm-dNK)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/3/2012
Entry Details Article
PubMed