Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50153810'   

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))	BDBM50153810 ((S)-11-Benzyl-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-...) Show SMILES CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4c(Cc4ccccc4)c3Cn1c2=O Show InChI InChI=1S/C27H22N2O4/c1-2-27(32)21-13-23-24-19(14-29(23)25(30)20(21)15-33-26(27)31)18(12-16-8-4-3-5-9-16)17-10-6-7-11-22(17)28-24/h3-11,13,32H,2,12,14-15H2,1H3/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	4.56E+3	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Effective concentration against DNA topoisomerase I				Bioorg Med Chem Lett 14: 5377-81 (2004) Article DOI: 10.1016/j.bmcl.2004.08.010 BindingDB Entry DOI: 10.7270/Q2D799WJ
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