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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' and Ligand = 'BDBM50198237'   
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 B


(Escherichia coli (strain K12))
BDBM50198237
PNG
(CHEMBL3898662)
Show SMILES OC(=O)C(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1
Show InChI InChI=1S/C14H8Br2N4O4S/c15-6-4-8(18-10(6)16)11(21)17-5-1-2-7-9(3-5)25-14(19-7)20-12(22)13(23)24/h1-4,18H,(H,17,21)(H,23,24)(H,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 38n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence of b...


J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50198237
PNG
(CHEMBL3898662)
Show SMILES OC(=O)C(=O)Nc1nc2ccc(NC(=O)c3cc(Br)c(Br)[nH]3)cc2s1
Show InChI InChI=1S/C14H8Br2N4O4S/c15-6-4-8(18-10(6)16)11(21)17-5-1-2-7-9(3-5)25-14(19-7)20-12(22)13(23)24/h1-4,18H,(H,17,21)(H,23,24)(H,19,20,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATP binding site assessed as reduction in supercoiling of relaxed pNO1 DNA after 30 mins in presence...


J Med Chem 59: 8941-8954 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00864
BindingDB Entry DOI: 10.7270/Q25B04GJ
More data for this
Ligand-Target Pair