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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50348873'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thymidine kinase


(Human herpesvirus 1)
BDBM50348873
PNG
(CHEMBL1807156)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H12F2N2O5/c1-4-2-14(9(18)13-7(4)17)8-10(11,12)6(16)5(3-15)19-8/h2,5-6,8,15-16H,3H2,1H3,(H,13,17,18)/t5-,6-,8-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Herpes simplex virus-1 thymidine kinase-mediated phosphorylation of [methyl-3H]dThd at 1 uM after 30 mins by scintillation counting


Bioorg Med Chem 19: 4338-45 (2011)


Article DOI: 10.1016/j.bmc.2011.05.037
BindingDB Entry DOI: 10.7270/Q25B02T6
More data for this
Ligand-Target Pair
Thymidine kinase


(Feline herpesvirus 1)
BDBM50348873
PNG
(CHEMBL1807156)
Show SMILES Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H12F2N2O5/c1-4-2-14(9(18)13-7(4)17)8-10(11,12)6(16)5(3-15)19-8/h2,5-6,8,15-16H,3H2,1H3,(H,13,17,18)/t5-,6-,8-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.50E+4n/an/an/an/an/an/a



Cardiff University

Curated by ChEMBL


Assay Description
Inhibition of Feline herpesvirus thymidine kinase assessed as phosphorylation of 1 uM [methyl-3H]dThd after 30 mins by scintillation counting


Bioorg Med Chem 19: 4338-45 (2011)


Article DOI: 10.1016/j.bmc.2011.05.037
BindingDB Entry DOI: 10.7270/Q25B02T6
More data for this
Ligand-Target Pair