Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 2-beta' and Ligand = 'BDBM50410828'   

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 2-beta (Homo sapiens (Human))	BDBM50410828 (CHEMBL5266387) Show SMILES [#7]-[#6](=O)-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)[C@@]([#7])([#6]-[#8])[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C47H67N15O13S2/c48-35(65)15-14-29-39(69)59-32(20-36(49)66)42(72)60-33(44(74)62-17-5-9-34(62)43(73)57-28(8-4-16-54-46(51)52)38(68)55-21-37(50)67)22-76-77-24-47(53,23-63)45(75)61-31(19-26-10-12-27(64)13-11-26)41(71)58-30(40(70)56-29)18-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,63-64H,4-5,8-9,14-24,53H2,(H2,48,65)(H2,49,66)(H2,50,67)(H,55,68)(H,56,70)(H,57,73)(H,58,71)(H,59,69)(H,60,72)(H,61,75)(H4,51,52,54)/t28-,29-,30-,31-,32-,33+,34-,47+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity in phenoxybenzamine-treated rat by Pressor assay				Citation and Details
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