Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50033771'   

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))	BDBM50033771 (4-Ethyl-4-hydroxy-10-iodo-3,13-dioxo-3,4,12,13-tet...) Show SMILES CCC1(O)C(=O)OCc2c1cc1-c3nc4cccc(I)c4c(C(O)=O)c3Cn1c2=O Show InChI InChI=1S/C21H15IN2O6/c1-2-21(29)11-6-14-17-9(7-24(14)18(25)10(11)8-30-20(21)28)15(19(26)27)16-12(22)4-3-5-13(16)23-17/h3-6,29H,2,7-8H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration of the compound against topoisomerase I obtained from calf thymus				J Med Chem 38: 906-11 (1995) BindingDB Entry DOI: 10.7270/Q2XG9Q55
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