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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 = 'BDBM50518933'   
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))
BDBM50518933
PNG
(CHEMBL4567626)
Show SMILES Clc1ccc2oc(=O)cc(NCCCN3CCN(CC3)c3nccc4ccccc34)c2c1
Show InChI InChI=1S/C25H25ClN4O2/c26-19-6-7-23-21(16-19)22(17-24(31)32-23)27-9-3-11-29-12-14-30(15-13-29)25-20-5-2-1-4-18(20)8-10-28-25/h1-2,4-8,10,16-17,27H,3,9,11-15H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 600n/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)
BDBM50518933
PNG
(CHEMBL4567626)
Show SMILES Clc1ccc2oc(=O)cc(NCCCN3CCN(CC3)c3nccc4ccccc34)c2c1
Show InChI InChI=1S/C25H25ClN4O2/c26-19-6-7-23-21(16-19)22(17-24(31)32-23)27-9-3-11-29-12-14-30(15-13-29)25-20-5-2-1-4-18(20)8-10-28-25/h1-2,4-8,10,16-17,27H,3,9,11-15H2
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.20E+3n/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