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BDBM50058510 CHEMBL3329319

SMILES: CCNC(=O)Nc1cc(Nc2ccc(OC)cc2OC)c(cn1)C(=O)Nc1cccnc1

InChI Key: InChIKey=NHLOTGIWHZMOCX-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50058510   
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 B


(Staphylococcus aureus)
BDBM50058510
PNG
(CHEMBL3329319)
Show SMILES CCNC(=O)Nc1cc(Nc2ccc(OC)cc2OC)c(cn1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C22H24N6O4/c1-4-24-22(30)28-20-11-18(27-17-8-7-15(31-2)10-19(17)32-3)16(13-25-20)21(29)26-14-6-5-9-23-12-14/h5-13H,4H2,1-3H3,(H,26,29)(H3,24,25,27,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 41n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus GyrB assessed reduction in DNA supercoiling activity by malachite green dye based by spectrophotometry


Eur J Med Chem 86: 31-8 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P
More data for this
Ligand-Target Pair
DNA Topoisomerase IV Subunit B


(Escherichia coli (strain K12))
BDBM50058510
PNG
(CHEMBL3329319)
Show SMILES CCNC(=O)Nc1cc(Nc2ccc(OC)cc2OC)c(cn1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C22H24N6O4/c1-4-24-22(30)28-20-11-18(27-17-8-7-15(31-2)10-19(17)32-3)16(13-25-20)21(29)26-14-6-5-9-23-12-14/h5-13H,4H2,1-3H3,(H,26,29)(H3,24,25,27,28,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ParE


Eur J Med Chem 86: 31-8 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P
More data for this
Ligand-Target Pair
DNA topoisomerase 4 subunit B (parE)


(Staphylococcus aureus)
BDBM50058510
PNG
(CHEMBL3329319)
Show SMILES CCNC(=O)Nc1cc(Nc2ccc(OC)cc2OC)c(cn1)C(=O)Nc1cccnc1
Show InChI InChI=1S/C22H24N6O4/c1-4-24-22(30)28-20-11-18(27-17-8-7-15(31-2)10-19(17)32-3)16(13-25-20)21(29)26-14-6-5-9-23-12-14/h5-13H,4H2,1-3H3,(H,26,29)(H3,24,25,27,28,30)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



University of Leeds

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ParE


Eur J Med Chem 86: 31-8 (2014)


Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P
More data for this
Ligand-Target Pair