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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50348876'   
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)
BDBM50348876
PNG
(CHEMBL1807153)
Show SMILES OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C(F)(F)[C@@H]1O |r|
Show InChI InChI=1S/C9H9F2IN2O5/c10-9(11)5(16)4(2-15)19-7(9)14-1-3(12)6(17)13-8(14)18/h1,4-5,7,15-16H,2H2,(H,13,17,18)/t4-,5-,7-/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+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)
BDBM50348876
PNG
(CHEMBL1807153)
Show SMILES OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)C(F)(F)[C@@H]1O |r|
Show InChI InChI=1S/C9H9F2IN2O5/c10-9(11)5(16)4(2-15)19-7(9)14-1-3(12)6(17)13-8(14)18/h1,4-5,7,15-16H,2H2,(H,13,17,18)/t4-,5-,7-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.80E+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