Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50326192'   

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))	BDBM50326192 ((E)-9-methoxy-6-(piperazin-1-yl)-11H-indeno[1,2-c]...) Show SMILES COc1ccc-2c(c1)\C(=N/OCCCN(C)C)c1c-2c(nc2ccccc12)N1CCNCC1 Show InChI InChI=1S/C26H31N5O2/c1-30(2)13-6-16-33-29-25-21-17-18(32-3)9-10-19(21)24-23(25)20-7-4-5-8-22(20)28-26(24)31-14-11-27-12-15-31/h4-5,7-10,17,27H,6,11-16H2,1-3H3/b29-25+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.60E+3	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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