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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase II' and Ligand = 'BDBM50229965'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
DNA topoisomerase II


(Homo sapiens (Human))
BDBM50229965
PNG
(CHEMBL174892)
Show SMILES OC(=O)c1c2scc3COc4c(N5CCCC5)c(F)cc(c4n23)c1=O
Show InChI InChI=1S/C17H13FN2O4S/c18-10-5-9-12-15(13(10)19-3-1-2-4-19)24-6-8-7-25-16(20(8)12)11(14(9)21)17(22)23/h5,7H,1-4,6H2,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.930n/an/an/an/an/an/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)


Article DOI: 10.1021/jm00079a011
BindingDB Entry DOI: 10.7270/Q2D79DNN
More data for this
Ligand-Target Pair