BDBM50100415 CHEMBL399413::Methoxy-acetic 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 COCC(=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=NNONZLUPBQRBKD-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50100415   

TargetThymidine kinase(HHV-1)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50100415(Methoxy-acetic acid 2-[5-((E)-2-bromo-vinyl)-2,4-d...)
Affinity DataIC50: 8.40E+4nMAssay 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
LigandPNGBDBM50100415(Methoxy-acetic acid 2-[5-((E)-2-bromo-vinyl)-2,4-d...)
Affinity DataIC50: 4.02E+5nMAssay 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(HHV-3)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50100415(Methoxy-acetic acid 2-[5-((E)-2-bromo-vinyl)-2,4-d...)
Affinity DataIC50: 3.50E+4nMAssay 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
TargetThymidine kinase, cytosolic(Human)
University of Ferrara

Curated by ChEMBL
LigandPNGBDBM50100415(Methoxy-acetic acid 2-[5-((E)-2-bromo-vinyl)-2,4-d...)
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