Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50202895'   

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))	BDBM50202895 (CHEMBL3976611) Show SMILES [Br-].FC(F)(F)c1ccc(C[n+]2ccc3ccnc4-c5ccccc5-c2c34)cc1 Show InChI InChI=1S/C22H14F3N2/c23-22(24,25)16-7-5-14(6-8-16)13-27-12-10-15-9-11-26-20-17-3-1-2-4-18(17)21(27)19(15)20/h1-12H,13H2/q+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.99E+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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