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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 = 'BDBM50440304'   
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)		BDBM50440304
PNG
(CHEMBL2424874)
Show SMILES COc1cnc2ccc(F)c([C@@H](O)[C@H](O)[C@@H]3CC[C@H](CO3)NCc3cc4SCCOc4cn3)c2n1 |r|
Show InChI InChI=1S/C24H27FN4O5S/c1-32-20-11-28-16-4-3-15(25)21(22(16)29-20)24(31)23(30)17-5-2-13(12-34-17)26-9-14-8-19-18(10-27-14)33-6-7-35-19/h3-4,8,10-11,13,17,23-24,26,30-31H,2,5-7,9,12H2,1H3/t13-,17+,23-,24-/m1/s1
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Similars
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr

J Med Chem 56: 7396-415 (2013)


Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV
More data for this
Ligand-Target Pair