Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50217807'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Thymidine kinase (Varicella-zoster virus (strain Dumas) (HHV-3) (Hum...)	BDBM50217807 ((E)-6-(dec-1-en-1-yl)-3-(2-deoxy-beta-D-erythro-pe...) Show SMILES CCCCCCCC\C=C\c1cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)nc2o1 Show InChI InChI=1S/C21H30N2O5/c1-2-3-4-5-6-7-8-9-10-16-11-15-13-23(21(26)22-20(15)27-16)19-12-17(25)18(14-24)28-19/h9-11,13,17-19,24-25H,2-8,12,14H2,1H3/b10-9+/t17-,18+,19+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/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
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