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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A/B' and Ligand = 'BDBM50266369'   
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 gyrase subunit A/B


(Staphylococcus aureus)
BDBM50266369
PNG
(CHEMBL4087439)
Show SMILES CCNC(=O)Nc1cc2c(ccc(COC(=O)N3CCN(C)CC3)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C25H30N6O3/c1-4-26-24(32)29-23-14-21-20(18-7-8-27-17(2)13-18)6-5-19(22(21)15-28-23)16-34-25(33)31-11-9-30(3)10-12-31/h5-8,13-15H,4,9-12,16H2,1-3H3,(H2,26,28,29,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus N-terminal His6-tagged DNA gyrase subunit GyrA/GyrB supercoiling activity expressed in Escherichia coli BL21 (DE3...


J Med Chem 60: 3755-3775 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01834
BindingDB Entry DOI: 10.7270/Q2SQ92VF
More data for this
Ligand-Target Pair