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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 = 'BDBM50500625'   
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...)		BDBM50500625
PNG
(CHEMBL3752396)
Show SMILES [O-][N+](=O)c1ccc(NC(=S)Nc2ccc(Nc3c4ccccc4nc4ccc(Cl)cc34)cc2)cc1
Show InChI InChI=1S/C26H18ClN5O2S/c27-16-5-14-24-22(15-16)25(21-3-1-2-4-23(21)31-24)28-17-6-8-18(9-7-17)29-26(35)30-19-10-12-20(13-11-19)32(33)34/h1-15H,(H,28,31)(H2,29,30,35)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.88E+4n/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