Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50203041'   

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 1 (Homo sapiens (Human))	BDBM50203041 (CHEMBL3895818) Show SMILES [Br-].CC[n+]1c2-c3ccccc3-c3nc(cc(c23)c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H19N2/c1-2-28-23-15-9-8-12-18(23)21-16-22(17-10-4-3-5-11-17)27-25-19-13-6-7-14-20(19)26(28)24(21)25/h3-16H,2H2,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of human DNA topoisomerase 1 using pHOT1 as substrate after 30 mins by agarose gel electrophoresis				Bioorg Med Chem 24: 6119-6130 (2016) Article DOI: 10.1016/j.bmc.2016.02.028 BindingDB Entry DOI: 10.7270/Q2BG2QZJ
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