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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 = 'BDBM50330318'   
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


(Escherichia coli (strain K12))
BDBM50330318
PNG
((3R,4S,5R,6S)-6-(3-benzamido-8-chloro-4-hydroxy-2-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2Cl)OC1(C)C |r|
Show InChI InChI=1S/C30H29ClN2O10/c1-14-10-12-17(32-14)27(37)42-24-22(35)29(43-30(2,3)25(24)39-4)40-18-13-11-16-21(34)20(28(38)41-23(16)19(18)31)33-26(36)15-8-6-5-7-9-15/h5-13,22,24-25,29,32,34-35H,1-4H3,(H,33,36)/t22-,24+,25-,29-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 72n/an/an/an/an/an/a



Universität Tübingen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli JM109 DNA gyrase subunit B assessed as ATP hydrolysis by ATPase assay


Antimicrob Agents Chemother 52: 1982-90 (2008)


Article DOI: 10.1128/AAC.01235-07
BindingDB Entry DOI: 10.7270/Q2PG1S0J
More data for this
Ligand-Target Pair