Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 2-alpha' and Ligand = 'BDBM50524543'   

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))	BDBM50524543 (CHEMBL4475269) Show SMILES Fc1cc(F)c(CSc2nc(SCc3cccc(Cl)c3)[nH]c(=O)n2)cc1F Show InChI InChI=1S/C17H11ClF3N3OS2/c18-11-3-1-2-9(4-11)7-26-16-22-15(25)23-17(24-16)27-8-10-5-13(20)14(21)6-12(10)19/h1-6H,7-8H2,(H,22,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovenia; University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha using supercoiled pNO1 plasmid as substrate after 30 mins by HTS assay				Eur J Med Chem 175: 330-348 (2019) Article DOI: 10.1016/j.ejmech.2019.04.055 BindingDB Entry DOI: 10.7270/Q25M693Q
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