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SMILES: Nc1nc(CSC2CCCC2)nc(Nc2ccc(F)cc2)n1

InChI Key: InChIKey=GQQXFJABJGTPJB-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50035864   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
DNA topoisomerase 2-alpha


(Homo sapiens (Human))		BDBM50035864
PNG
(CHEMBL3361013)
Show SMILES Nc1nc(CSC2CCCC2)nc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C15H18FN5S/c16-10-5-7-11(8-6-10)18-15-20-13(19-14(17)21-15)9-22-12-3-1-2-4-12/h5-8,12H,1-4,9H2,(H3,17,18,19,20,21)
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



National Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibition of human DNA topoisomerase 2alpha using plasmid pNO1 substrate incubated at 37 degC for 30 mins by fluorimetry

Bioorg Med Chem Lett 24: 5762-8 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.042
BindingDB Entry DOI: 10.7270/Q24Q7WMK
More data for this
Ligand-Target Pair