Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 1' and Ligand = 'BDBM50033723'   

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))	BDBM50033723 (CHEMBL9164 | Heptanoic acid (R)-1-(5,8-dihydroxy-1...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#8]-[#6](=[#6]\[#6]=[#6](\[#6])-[#6])-c1cc(-[#8])c2c(-[#8])ccc(-[#8])c2c1-[#8] |w:10.10| Show InChI InChI=1S/C23H28O6/c1-4-5-6-7-8-20(27)29-19(12-9-14(2)3)15-13-18(26)21-16(24)10-11-17(25)22(21)23(15)28/h9-13,24-26,28H,4-8H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.25E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chungnam National University Curated by ChEMBL					Assay Description Inhibitory activity against DNA topoisomerase-I obtained from Hela cells				J Med Chem 38: 1044-7 (1995) BindingDB Entry DOI: 10.7270/Q2610ZCB
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