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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 = 'BDBM50266345'   
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)		BDBM50266345
PNG
(CHEMBL4094690)
Show SMILES Cl.CCNC(=O)Nc1cc2c(ccc(CNC(=O)OCCN3CCOCC3)c2cn1)-c1ccncc1
Show InChI InChI=1S/C25H30N6O4/c1-2-27-24(32)30-23-15-21-20(18-5-7-26-8-6-18)4-3-19(22(21)17-28-23)16-29-25(33)35-14-11-31-9-12-34-13-10-31/h3-8,15,17H,2,9-14,16H2,1H3,(H,29,33)(H2,27,28,30,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a<4n/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