BDBM50229974 CHEMBL178077

SMILES: OC(=O)c1c2scc3COc4c(N5CCNCC5)c(F)cc(c4n23)c1=O

InChI Key: InChIKey=FXUCTLDVEMETLH-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50229974   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
DNA topoisomerase II (Homo sapiens (Human))	BDBM50229974 (CHEMBL178077) Show SMILES OC(=O)c1c2scc3COc4c(N5CCNCC5)c(F)cc(c4n23)c1=O Show InChI InChI=1S/C17H14FN3O4S/c18-10-5-9-12-15(13(10)20-3-1-19-2-4-20)25-6-8-7-26-16(21(8)12)11(14(9)22)17(23)24/h5,7,19H,1-4,6H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Kanebo Ltd. Curated by ChEMBL					Assay Description The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.				J Med Chem 35: 94-9 (1992) BindingDB Entry DOI: 10.7270/Q2D79DNN
					More data for this Ligand-Target Pair