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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A' and Ligand = 'BDBM50518948'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA gyrase subunit A


(Escherichia coli (strain K12))
BDBM50518948
PNG
(CHEMBL4574863)
Show SMILES COc1ccc2cc(F)nc(N3CCN(CC(O)CNc4cc(=O)oc5ccc(F)cc45)CC3)c2c1
Show InChI InChI=1S/C26H26F2N4O4/c1-35-19-4-2-16-10-24(28)30-26(20(16)12-19)32-8-6-31(7-9-32)15-18(33)14-29-22-13-25(34)36-23-5-3-17(27)11-21(22)23/h2-5,10-13,18,29,33H,6-9,14-15H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 40n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium bromid...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Staphylococcus aureus)
BDBM50518948
PNG
(CHEMBL4574863)
Show SMILES COc1ccc2cc(F)nc(N3CCN(CC(O)CNc4cc(=O)oc5ccc(F)cc45)CC3)c2c1
Show InChI InChI=1S/C26H26F2N4O4/c1-35-19-4-2-16-10-24(28)30-26(20(16)12-19)32-8-6-31(7-9-32)15-18(33)14-29-22-13-25(34)36-23-5-3-17(27)11-21(22)23/h2-5,10-13,18,29,33H,6-9,14-15H2,1H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a<100n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
BindingDB Entry DOI: 10.7270/Q2Z03CKM
More data for this
Ligand-Target Pair