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SMILES: COC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O

InChI Key: InChIKey=DFSJRBMMUIGDSX-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50497466   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50497466
PNG
(CHEMBL3344022)
Show SMILES COC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O5/c1-28-18(25)4-2-3-17(24)20-13-7-5-12(6-8-13)19-21-15-10-9-14(23(26)27)11-16(15)22-19/h5-11H,2-4H2,1H3,(H,20,24)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase-mediated supercoiling of relaxed DNA using pBR 322 as substrate by agarose gel electrophoresis analysi...


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus)
BDBM50497466
PNG
(CHEMBL3344022)
Show SMILES COC(=O)CCCC(=O)Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C19H18N4O5/c1-28-18(25)4-2-3-17(24)20-13-7-5-12(6-8-13)19-21-15-10-9-14(23(26)27)11-16(15)22-19/h5-11H,2-4H2,1H3,(H,20,24)(H,21,22)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.83E+3n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase B ATPase activity


Bioorg Med Chem 22: 5970-87 (2014)


Article DOI: 10.1016/j.bmc.2014.09.008
BindingDB Entry DOI: 10.7270/Q23X89MP
More data for this
Ligand-Target Pair