Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50200998'   

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...)	BDBM50200998 (1-[(Z)-4-[1-(4-chlorophenyl)-1,1-(diphenyl)methoxy...) Show SMILES Cc1cn(C\C=C/COC(c2ccccc2)(c2ccccc2)c2ccc(Cl)cc2)c(=O)[nH]c1=O Show InChI InChI=1S/C28H25ClN2O3/c1-21-20-31(27(33)30-26(21)32)18-8-9-19-34-28(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24-14-16-25(29)17-15-24/h2-17,20H,18-19H2,1H3,(H,30,32,33)/b9-8-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+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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