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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit B' and Ligand = 'BDBM50500627'   
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 B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM50500627
PNG
(CHEMBL3752277)
Show SMILES Cc1ccc2nc3ccccc3c(Nc3ccc(NC(=O)Nc4ccc(cc4)[N+]([O-])=O)cc3)c2c1
Show InChI InChI=1S/C27H21N5O3/c1-17-6-15-25-23(16-17)26(22-4-2-3-5-24(22)31-25)28-18-7-9-19(10-8-18)29-27(33)30-20-11-13-21(14-12-20)32(34)35/h2-16H,1H3,(H,28,31)(H2,29,30,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of DNA supercoiling after 30 mins by electrophoresis


Bioorg Med Chem 24: 877-85 (2016)


Article DOI: 10.1016/j.bmc.2016.01.011
BindingDB Entry DOI: 10.7270/Q2MP5682
More data for this
Ligand-Target Pair