Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50203043'   

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))	BDBM50203043 (CHEMBL3896867) Show SMILES [Br-].C(c1ccccc1)[n+]1ccc2c3c(nc4cc5OCOc5cc24)-c2ccccc2-c13 Show InChI InChI=1S/C26H17N2O2/c1-2-6-16(7-3-1)14-28-11-10-17-20-12-22-23(30-15-29-22)13-21(20)27-25-18-8-4-5-9-19(18)26(28)24(17)25/h1-13H,14-15H2/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	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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