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SMILES: COc1ccc(cc1)C(=O)N[C@H]1CO[C@H](CCc2ccnc3ccc(OC)cc23)OC1

InChI Key:

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 2 hits for monomerid = 50561956   
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 topoisomerase 4 subunit A/B


(Staphylococcus aureus)
BDBM50561956
PNG
(CHEMBL4764420)
Show SMILES COc1ccc(cc1)C(=O)N[C@H]1CO[C@H](CCc2ccnc3ccc(OC)cc23)OC1 |r,wU:14.15,wD:11.11,(22.79,-21.93,;21.47,-22.71,;20.14,-21.95,;18.8,-22.72,;17.47,-21.95,;17.47,-20.41,;18.79,-19.64,;20.13,-20.4,;16.14,-19.65,;16.14,-18.11,;14.8,-20.42,;13.47,-19.65,;13.47,-18.11,;12.13,-17.33,;10.81,-18.12,;9.47,-17.35,;8.14,-18.13,;8.14,-19.67,;9.48,-20.43,;9.49,-21.98,;8.15,-22.76,;6.81,-21.98,;5.48,-22.75,;4.16,-21.98,;4.15,-20.44,;2.82,-19.67,;2.81,-18.14,;5.48,-19.67,;6.81,-20.44,;10.81,-19.66,;12.14,-20.42,)|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.06E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00428
BindingDB Entry DOI: 10.7270/Q2Z89H4G
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50561956
PNG
(CHEMBL4764420)
Show SMILES COc1ccc(cc1)C(=O)N[C@H]1CO[C@H](CCc2ccnc3ccc(OC)cc23)OC1 |r,wU:14.15,wD:11.11,(22.79,-21.93,;21.47,-22.71,;20.14,-21.95,;18.8,-22.72,;17.47,-21.95,;17.47,-20.41,;18.79,-19.64,;20.13,-20.4,;16.14,-19.65,;16.14,-18.11,;14.8,-20.42,;13.47,-19.65,;13.47,-18.11,;12.13,-17.33,;10.81,-18.12,;9.47,-17.35,;8.14,-18.13,;8.14,-19.67,;9.48,-20.43,;9.49,-21.98,;8.15,-22.76,;6.81,-21.98,;5.48,-22.75,;4.16,-21.98,;4.15,-20.44,;2.82,-19.67,;2.81,-18.14,;5.48,-19.67,;6.81,-20.44,;10.81,-19.66,;12.14,-20.42,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 as substrate by gel electrophoresis


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00428
BindingDB Entry DOI: 10.7270/Q2Z89H4G
More data for this
Ligand-Target Pair