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Found 1 hit Enz. Inhib. hit(s) with Target = '2-heptyl-4(1H)-quinolone synthase PqsD' and Ligand = 'BDBM50079638'   
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
2-heptyl-4(1H)-quinolone synthase PqsD


(Pseudomonas aeruginosa)
BDBM50079638
PNG
(CHEMBL3086445)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(s1)C(O)=O |r|
Show InChI InChI=1/C22H20N2O6S/c1-30-15-9-7-14(8-10-15)18-12-16(19(31-18)21(27)28)23-22(29)24-17(20(25)26)11-13-5-3-2-4-6-13/h2-10,12,17H,11H2,1H3,(H,25,26)(H,27,28)(H2,23,24,29)/t17-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Saarland University& Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of recombinant His6-tagged Pseudomonas aeruginosa PqsD expressed in Escherichia coli BL21 (deltaDE3) using anthraniloyl-CoA/beta-ketodecan...


Eur J Med Chem 96: 14-21 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.007
More data for this
Ligand-Target Pair