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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 = 'BDBM50010377'   
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 smegmatis)
BDBM50010377
PNG
(CHEMBL3263619)
Show SMILES CCNC(=O)Nc1nc2cc(-c3ccn(CCOC)c(=O)c3)c(O[C@@H]3CCOC3)nc2s1 |r|
Show InChI InChI=1S/C21H25N5O5S/c1-3-22-20(28)25-21-23-16-11-15(13-4-6-26(7-9-29-2)17(27)10-13)18(24-19(16)32-21)31-14-5-8-30-12-14/h4,6,10-11,14H,3,5,7-9,12H2,1-2H3,(H2,22,23,25,28)/t14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



AstraZeneca India Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium smegmatis DNA gyrase B ATPase activity assessed as inorganic phosphate release using ATP as substrate by colorimetric ana...


Cell Chem Biol 56: 8834-48 (2013)


Article DOI: 10.1021/jm401268f
BindingDB Entry DOI: 10.7270/Q2RV0Q7W
More data for this
Ligand-Target Pair