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Found 1 hit Enz. Inhib. hit(s) with Target = '2-heptyl-4(1H)-quinolone synthase PqsD' and Ligand = 'BDBM50079713'   
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)
BDBM50079713
PNG
(CHEMBL3414794)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O)c(s1)C(O)=O |r|
Show InChI InChI=1/C24H21N3O6S/c1-33-15-8-6-13(7-9-15)20-11-18(21(34-20)23(30)31)26-24(32)27-19(22(28)29)10-14-12-25-17-5-3-2-4-16(14)17/h2-9,11-12,19,25H,10H2,1H3,(H,28,29)(H,30,31)(H2,26,27,32)/t19-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/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