Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 2-alpha' and Ligand = 'BDBM50104617'   

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
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50104617 (CHEMBL1836540) Show SMILES Sc1nc(SCc2ccccc2)nc(=O)[nH]1 Show InChI InChI=1S/C10H9N3OS2/c14-8-11-9(15)13-10(12-8)16-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,11,12,13,14,15)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Chemistry Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase IIalpha using plasmid pNO1 as a substrate after 30 mins				Bioorg Med Chem 23: 4218-29 (2015) Article DOI: 10.1016/j.bmc.2015.06.049 BindingDB Entry DOI: 10.7270/Q2RJ4M72
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