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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 = 'BDBM50266376'   
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)		BDBM50266376
PNG
(CHEMBL4073597)
Show SMILES CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCO)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C22H25N5O4/c1-3-23-21(29)27-20-11-18-17(15-6-7-24-14(2)10-15)5-4-16(19(18)13-25-20)12-26-22(30)31-9-8-28/h4-7,10-11,13,28H,3,8-9,12H2,1-2H3,(H,26,30)(H2,23,25,27,29)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 30n/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