Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50326190'   

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))	BDBM50326190 ((E)-6-Hydroxy-9-methoxy-11H-indeno[1,2-c]quinolin-...) Show SMILES COc1ccc-2c(c1)\C(=N/OCCN1CCOCC1)c1c-2c(=O)[nH]c2ccccc12 Show InChI InChI=1S/C23H23N3O4/c1-28-15-6-7-16-18(14-15)22(25-30-13-10-26-8-11-29-12-9-26)20-17-4-2-3-5-19(17)24-23(27)21(16)20/h2-7,14H,8-13H2,1H3,(H,24,27)/b25-22+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Kaohsiung Medical University Curated by ChEMBL					Assay Description Inhibition of human topoisomerase 1 assessed as decrease in pBR322 mobility on agarose gel by electrophoresis				J Med Chem 53: 6164-79 (2010) Article DOI: 10.1021/jm1005447 BindingDB Entry DOI: 10.7270/Q2BZ6710
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