Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Thymidine kinase' and Ligand = 'BDBM50211001'   

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...)	BDBM50211001 (6-(3-hydroxy-4-iodophenyl)-3-((2R,4S,5R)-4-hydroxy...) Show SMILES OC[C@H]1O[C@H](C[C@@H]1O)n1cc2cc(oc2nc1=O)-c1ccc(I)c(O)c1 Show InChI InChI=1S/C17H15IN2O6/c18-10-2-1-8(3-11(10)22)13-4-9-6-20(17(24)19-16(9)26-13)15-5-12(23)14(7-21)25-15/h1-4,6,12,14-15,21-23H,5,7H2/t12-,14+,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Katholieke Universiteit Leuven Curated by ChEMBL					Assay Description Inhibition of VZV thymidine kinase				Bioorg Med Chem Lett 17: 3458-62 (2007) Article DOI: 10.1016/j.bmcl.2007.03.081 BindingDB Entry DOI: 10.7270/Q2V40TVW
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