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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50217806'   
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


(Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)
BDBM50217806
PNG
(3-(2-deoxy-D-erythro-pentofuranosyl)-6-(2-hexylpyr...)
Show SMILES CCCCCCc1cnc(nc1)-c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1
Show InChI InChI=1S/C21H26N4O5/c1-2-3-4-5-6-13-9-22-19(23-10-13)16-7-14-11-25(21(28)24-20(14)30-16)18-8-15(27)17(12-26)29-18/h7,9-11,15,17-18,26-27H,2-6,8,12H2,1H3/t15-,17+,18+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



Brigham Young University

Curated by ChEMBL


Assay Description
Inhibition of VZV thymidine kinase


J Med Chem 50: 3897-905 (2007)


Article DOI: 10.1021/jm070210n
BindingDB Entry DOI: 10.7270/Q2S75G19
More data for this
Ligand-Target Pair