Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50259214'   

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 (Escherichia coli (strain K12))	BDBM50259214 (CHEMBL4061346 | US10266550, Compound 11a) Show SMILES CN1CCN(CC1)c1c(F)cc2c3c1oc1cc(N)ccc1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C21H19FN4O4/c1-24-4-6-25(7-5-24)18-14(22)9-12-17-20(18)30-16-8-11(23)2-3-15(16)26(17)10-13(19(12)27)21(28)29/h2-3,8-10H,4-7,23H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath					Assay Description The relaxation activity of E. coli topoisomerase I was assayed in a buffer containing 10 mM Tris-HCl, pH 8.0, 50 mM NaCl, 0.1 mg/mL gelatin, and 0.5 ...				J Med Chem 51: 4226-38 (2008) BindingDB Entry DOI: 10.7270/Q2H997HD
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50259214 (CHEMBL4061346 | US10266550, Compound 11a) Show SMILES CN1CCN(CC1)c1c(F)cc2c3c1oc1cc(N)ccc1n3cc(C(O)=O)c2=O Show InChI InChI=1S/C21H19FN4O4/c1-24-4-6-25(7-5-24)18-14(22)9-12-17-20(18)30-16-8-11(23)2-3-15(16)26(17)10-13(19(12)27)21(28)29/h2-3,8-10H,4-7,23H2,1H3,(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath					Assay Description Human topoisomerase I relaxation assays were carried out with 0.5 U of enzyme in reaction buffer supplied by the manufacturer. The enzyme was mixed w...				J Med Chem 51: 4226-38 (2008) BindingDB Entry DOI: 10.7270/Q2H997HD
					More data for this Ligand-Target Pair