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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A/B' and Ligand = 'BDBM50510292'   
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/B


(Escherichia coli (strain K12))
BDBM50510292
PNG
(CHEMBL4471339)
Show SMILES NC[C@H](Oc1noc2ncc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C20H16ClN3O2/c21-17-9-5-4-8-15(17)14-10-16-19(23-12-14)26-24-20(16)25-18(11-22)13-6-2-1-3-7-13/h1-10,12,18H,11,22H2/t18-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...


Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
BindingDB Entry DOI: 10.7270/Q2NC64HZ
More data for this
Ligand-Target Pair