BDBM50572191 CHEMBL4861727

SMILES COc1ccc2c(n1)c(ccn2)CCN3CCC(CC3)NCc4ccc(cc4)Cl

InChI Key InChIKey=MLGPJPYFHAIWJL-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50572191   

TargetDNA gyrase subunit A/B(Staphylococcus aureus)
National Institute of Chemistry

Curated by ChEMBL
LigandPNGBDBM50572191(CHEMBL4861727)
Affinity DataIC50: 1.71E+3nMAssay Description:Inhibition of Escherichia coli DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDNA gyrase subunit A/B(Staphylococcus aureus)
National Institute of Chemistry

Curated by ChEMBL
LigandPNGBDBM50572191(CHEMBL4861727)
Affinity DataIC50: 35nMAssay Description:Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in DNA supercoiling using relaxed pNO1 plasmid DNA as substrate incubated for 30...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetDNA topoisomerase 4 subunit A/B(Staphylococcus aureus)
National Institute of Chemistry

Curated by ChEMBL
LigandPNGBDBM50572191(CHEMBL4861727)
Affinity DataIC50: 1.64E+4nMAssay Description:Inhibition of Staphylococcus aureus topoisomerase 4 assessed as reduction in decatenation using supercoiled pNO1 plasmid DNA as substrate incubated f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/22/2022
Entry Details Article
PubMed