Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50033779'   

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))	BDBM50033779 ((R)-4-Ethyl-4-hydroxy-7-[5-methyl-7-nitro-2-oxo-1,...) Show SMILES CC[C@]1(O)C(=O)OCc2c1cc1C(=O)\C(Cn1c2=O)=C1\C(=O)Nc2c1cc(C)cc2[N+]([O-])=O Show InChI InChI=1S/C22H17N3O8/c1-3-22(30)13-6-15-18(26)11(7-24(15)20(28)12(13)8-33-21(22)29)16-10-4-9(2)5-14(25(31)32)17(10)23-19(16)27/h4-6,30H,3,7-8H2,1-2H3,(H,23,27)/b16-11+/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research Institute Curated by ChEMBL					Assay Description Inhibition of bovine topoisomerase I, using cleavable complex assay.				J Med Chem 38: 906-11 (1995) BindingDB Entry DOI: 10.7270/Q2XG9Q55
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