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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 = 'BDBM50500052'   
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...)		BDBM50500052
PNG
(CHEMBL3740531)
Show SMILES COc1cnc2ccc(=O)n(CCN3CCN(CC3)C(=O)Nc3ccc(cc3)[N+]([O-])=O)c2c1
Show InChI InChI=1S/C22H24N6O5/c1-33-18-14-20-19(23-15-18)6-7-21(29)27(20)13-10-25-8-11-26(12-9-25)22(30)24-16-2-4-17(5-3-16)28(31)32/h2-7,14-15H,8-13H2,1H3,(H,24,30)
PDB

UniProtKB/SwissProt

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a



Birla Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as inhibition of supercoiling activity using relaxed pBR322 plasmid as substrate after 3...

Bioorg Med Chem 24: 42-52 (2016)


Article DOI: 10.1016/j.bmc.2015.11.039
BindingDB Entry DOI: 10.7270/Q25T3PG4
More data for this
Ligand-Target Pair