Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 2-alpha' and Ligand = 'BDBM50183475'   

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))	BDBM50183475 (5-(3-Amino-propylamino)-7,10-dihydroxy-2-[2-(2-hyd...) Show SMILES NCCCNc1ccc2n(CCNCCO)nc3-c4c(O)ccc(O)c4C(=O)c1c23 Show InChI InChI=1S/C21H25N5O4/c22-6-1-7-24-12-2-3-13-17-16(12)21(30)19-15(29)5-4-14(28)18(19)20(17)25-26(13)10-8-23-9-11-27/h2-5,23-24,27-29H,1,6-11,22H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manitoba Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 2alpha decantation activity				Bioorg Med Chem 16: 3959-68 (2008) Article DOI: 10.1016/j.bmc.2008.01.033 BindingDB Entry DOI: 10.7270/Q2T72H7K
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