Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50203046'   

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))	BDBM50203046 (CHEMBL3913215) Show SMILES [I-].C[n+]1ccc2cc(nc3-c4ccccc4-c1c23)-c1ccccc1 Show InChI InChI=1S/C21H15N2/c1-23-12-11-15-13-18(14-7-3-2-4-8-14)22-20-16-9-5-6-10-17(16)21(23)19(15)20/h2-13H,1H3/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.84E+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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