Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 2-alpha' and Ligand = 'BDBM50354240'   

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))	BDBM50354240 (CHEMBL1836517) Show SMILES O=c1nc(SCC2CCC2)nc(SCc2ccccc2)[nH]1 Show InChI InChI=1S/C15H17N3OS2/c19-13-16-14(20-9-11-5-2-1-3-6-11)18-15(17-13)21-10-12-7-4-8-12/h1-3,5-6,12H,4,7-10H2,(H,16,17,18,19)	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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