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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA topoisomerase 4 subunit A/B' and Ligand = 'BDBM50440313'   
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 topoisomerase 4 subunit A/B


(Staphylococcus aureus)		BDBM50440313
PNG
(CHEMBL2424887)
Show SMILES COc1ccc2nccc([C@@H](O)[C@H](O)[C@H]3CC[C@@H](CO3)NCc3ccc4SCC(=O)Nc4n3)c2n1 |r|
Show InChI InChI=1S/C24H27N5O5S/c1-33-20-7-4-16-21(29-20)15(8-9-25-16)22(31)23(32)17-5-2-14(11-34-17)26-10-13-3-6-18-24(27-13)28-19(30)12-35-18/h3-4,6-9,14,17,22-23,26,31-32H,2,5,10-12H2,1H3,(H,27,28,30)/t14-,17+,22+,23+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a>8.00E+3n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation 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