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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 = 'BDBM50229969'   
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))
BDBM50229969
PNG
(CHEMBL554645)
Show SMILES Cl.CN1CCN(CC1)c1c(F)cc2c3c1OCc1csc(c(C(O)=O)c2=O)n31
Show InChI InChI=1S/C18H16FN3O4S.ClH/c1-20-2-4-21(5-3-20)14-11(19)6-10-13-16(14)26-7-9-8-27-17(22(9)13)12(15(10)23)18(24)25;/h6,8H,2-5,7H2,1H3,(H,24,25);1H
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 0.310n/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