Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50045362'   

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))	BDBM50045362 ((20RS)-7-ethyl-8,11-dioxo-7,8,11,13-tetrahydro-10H...) Show SMILES CCC1(OC(=O)CN)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O Show InChI InChI=1S/C23H19N3O7/c1-2-23(33-19(27)7-24)14-5-16-20-12(8-26(16)21(28)13(14)9-30-22(23)29)3-11-4-17-18(32-10-31-17)6-15(11)25-20/h3-6H,2,7-10,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in intact human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair
DNA topoisomerase 1 (Homo sapiens (Human))	BDBM50045362 ((20RS)-7-ethyl-8,11-dioxo-7,8,11,13-tetrahydro-10H...) Show SMILES CCC1(OC(=O)CN)C(=O)OCc2c1cc1-c3nc4cc5OCOc5cc4cc3Cn1c2=O Show InChI InChI=1S/C23H19N3O7/c1-2-23(33-19(27)7-24)14-5-16-20-12(8-26(16)21(28)13(14)9-30-22(23)29)3-11-4-17-18(32-10-31-17)6-15(11)25-20/h3-6H,2,7-10,24H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Inhibition of Topoisomerase I by cleavage complex formation in intact human HL-60 cells				J Med Chem 36: 2689-700 (1993) BindingDB Entry DOI: 10.7270/Q2KP82RH
					More data for this Ligand-Target Pair