BindingDB logo
myBDB logout

null

SMILES: [H][C@@]1(OC[C@@H](CO1)NCc1cc2CCCOc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12

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 = 50577581   
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)
BDBM50577581
PNG
(CHEMBL4874489)
Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2CCCOc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(46.4,-15.49,;45.08,-14.72,;43.73,-13.97,;43.73,-12.43,;45.07,-11.65,;46.41,-12.42,;46.41,-13.95,;45.07,-10.11,;46.4,-9.34,;47.73,-10.11,;49.05,-9.33,;50.39,-10.09,;51.72,-9.32,;53.06,-10.09,;53.06,-11.63,;51.72,-12.4,;50.39,-11.63,;49.06,-12.41,;47.73,-11.65,;45.08,-16.26,;46.42,-17.02,;43.76,-17.04,;43.76,-18.58,;45.1,-19.34,;46.43,-18.56,;45.1,-20.89,;43.77,-21.66,;42.44,-20.9,;41.1,-21.67,;39.77,-20.9,;39.77,-19.36,;38.44,-18.59,;38.44,-17.05,;41.1,-18.59,;42.44,-19.35,)|
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Staphylococcus aureus topoisomerase IV decatenation activity using kDNA as substrate by ethidium bromide/bromophenol blue staining base...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01250
BindingDB Entry DOI: 10.7270/Q2CN77R0
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)
BDBM50577581
PNG
(CHEMBL4874489)
Show SMILES [H][C@@]1(OC[C@@H](CO1)NCc1cc2CCCOc2cn1)[C@@H](O)Cc1c(F)cnc2ccc(OC)nc12 |r,wU:19.22,wD:4.7,1.0,(46.4,-15.49,;45.08,-14.72,;43.73,-13.97,;43.73,-12.43,;45.07,-11.65,;46.41,-12.42,;46.41,-13.95,;45.07,-10.11,;46.4,-9.34,;47.73,-10.11,;49.05,-9.33,;50.39,-10.09,;51.72,-9.32,;53.06,-10.09,;53.06,-11.63,;51.72,-12.4,;50.39,-11.63,;49.06,-12.41,;47.73,-11.65,;45.08,-16.26,;46.42,-17.02,;43.76,-17.04,;43.76,-18.58,;45.1,-19.34,;46.43,-18.56,;45.1,-20.89,;43.77,-21.66,;42.44,-20.9,;41.1,-21.67,;39.77,-20.9,;39.77,-19.36,;38.44,-18.59,;38.44,-17.05,;41.1,-18.59,;42.44,-19.35,)|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Staphylococcus aureus Gyrase supercoiling activity assessed as reduction in supercoiling pBR322 DNA by measuring relaxation by bromophe...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01250
BindingDB Entry DOI: 10.7270/Q2CN77R0
More data for this
Ligand-Target Pair