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Found 1 hit Enz. Inhib. hit(s) with Target = '2-heptyl-4(1H)-quinolone synthase PqsD' and Ligand = 'BDBM50079653'   
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)
BDBM50079653
PNG
(CHEMBL3414805)
Show SMILES OCc1ccc(cc1)-c1ccc(cc1)-c1cc(NC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(s1)C(O)=O |r|
Show InChI InChI=1/C28H24N2O6S/c31-16-18-6-8-19(9-7-18)20-10-12-21(13-11-20)24-15-22(25(37-24)27(34)35)29-28(36)30-23(26(32)33)14-17-4-2-1-3-5-17/h1-13,15,23,31H,14,16H2,(H,32,33)(H,34,35)(H2,29,30,36)/t23-/s2
PDB

UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 140n/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