Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50200994'   

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 (Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)	BDBM50200994 (1-[2-(2-triphenylmethoxyethoxy)ethyl]thymine | CHE...) Show SMILES Cc1cn(CCOCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H28N2O4/c1-22-21-30(27(32)29-26(22)31)17-18-33-19-20-34-28(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,21H,17-20H2,1H3,(H,29,31,32)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Química Médica (C.S.I.C.) Curated by ChEMBL					Assay Description Inhibition of [3H]methyl dThd phosphorylation by HSV1 TK				J Med Chem 49: 7766-73 (2006) Article DOI: 10.1021/jm0610550 BindingDB Entry DOI: 10.7270/Q2K073XW
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