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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 = 'BDBM50510297'   
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))
BDBM50510297
PNG
(CHEMBL4577405)
Show SMILES NC[C@H](Nc1nccc2ccc(cc12)-c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C23H20ClN3/c24-21-9-5-4-8-19(21)18-11-10-16-12-13-26-23(20(16)14-18)27-22(15-25)17-6-2-1-3-7-17/h1-14,22H,15,25H2,(H,26,27)/t22-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/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