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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 = 'BDBM50266378'   
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)		BDBM50266378
PNG
(CHEMBL4066059)
Show SMILES Cl.CCNC(=O)Nc1cc2c(ccc(COC(=O)N3CCN(CC4CC4)CC3)c2cn1)-c1ccnc(C)c1
Show InChI InChI=1S/C28H34N6O3/c1-3-29-27(35)32-26-15-24-23(21-8-9-30-19(2)14-21)7-6-22(25(24)16-31-26)18-37-28(36)34-12-10-33(11-13-34)17-20-4-5-20/h6-9,14-16,20H,3-5,10-13,17-18H2,1-2H3,(H2,29,31,32,35)
PDB
MMDB

KEGG

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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