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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 = 'BDBM50330311'   
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))
BDBM50330311
PNG
((3R,4S,5R,6R)-6-(3-cinnamamido-4-hydroxy-8-methyl-...)
Show SMILES CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(O)c(NC(=O)\C=C\c4ccccc4)c(=O)oc3c2C)OC1(C)C |r|
Show InChI InChI=1S/C33H34N2O10/c1-17-11-14-21(34-17)30(39)44-28-26(38)32(45-33(3,4)29(28)41-5)42-22-15-13-20-25(37)24(31(40)43-27(20)18(22)2)35-23(36)16-12-19-9-7-6-8-10-19/h6-16,26,28-29,32,34,37-38H,1-5H3,(H,35,36)/b16-12+/t26-,28+,29-,32-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 106n/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