Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50080282'   

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))	BDBM50080282 (6-(1-Hydroxy-heptyl)-5,8-dimethoxy-[1,4]naphthoqui...) Show SMILES CCCCCCC(O)c1cc(OC)c2C(=O)C=CC(=O)c2c1OC |c:16| Show InChI InChI=1S/C19H24O5/c1-4-5-6-7-8-13(20)12-11-16(23-2)17-14(21)9-10-15(22)18(17)19(12)24-3/h9-11,13,20H,4-8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of DNA topoisomerase-I of calf thymus				Bioorg Med Chem Lett 9: 2407-12 (1999) BindingDB Entry DOI: 10.7270/Q2TH8KVH
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