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Found 1 hit Enz. Inhib. hit(s) with Target = '2-heptyl-4(1H)-quinolone synthase PqsD' and Ligand = 'BDBM50079771'   
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)
BDBM50079771
PNG
(CHEMBL3414790)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)N[C@@H](CCc2ccccc2)C(O)=O)c(s1)C(O)=O |r|
Show InChI InChI=1/C23H22N2O6S/c1-31-16-10-8-15(9-11-16)19-13-18(20(32-19)22(28)29)25-23(30)24-17(21(26)27)12-7-14-5-3-2-4-6-14/h2-6,8-11,13,17H,7,12H2,1H3,(H,26,27)(H,28,29)(H2,24,25,30)/t17-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.37E+4n/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