Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50206489'   

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...)	BDBM50206489 (CHEMBL241196 | N3-octyl-1-(beta-D-arabinofuranosyl...) Show SMILES CCCCCCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O Show InChI InChI=1S/C18H30N2O6/c1-3-4-5-6-7-8-9-19-16(24)12(2)10-20(18(19)25)17-15(23)14(22)13(11-21)26-17/h10,13-15,17,21-23H,3-9,11H2,1-2H3/t13-,14-,15+,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of VZV TK assessed as [methyl-3H]dThd phosphorylation				Bioorg Med Chem 15: 3065-81 (2007) Article DOI: 10.1016/j.bmc.2007.01.049 BindingDB Entry DOI: 10.7270/Q29C6Z76
					More data for this Ligand-Target Pair
Thymidine kinase (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50206489 (CHEMBL241196 | N3-octyl-1-(beta-D-arabinofuranosyl...) Show SMILES CCCCCCCCn1c(=O)c(C)cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O Show InChI InChI=1S/C18H30N2O6/c1-3-4-5-6-7-8-9-19-16(24)12(2)10-20(18(19)25)17-15(23)14(22)13(11-21)26-17/h10,13-15,17,21-23H,3-9,11H2,1-2H3/t13-,14-,15+,17-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Ferrara Curated by ChEMBL					Assay Description Inhibition of HSV1 TK assessed as [methyl-3H]dThd phosphorylation				Bioorg Med Chem 15: 3065-81 (2007) Article DOI: 10.1016/j.bmc.2007.01.049 BindingDB Entry DOI: 10.7270/Q29C6Z76
					More data for this Ligand-Target Pair