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Found 1 hit Enz. Inhib. hit(s) with Target = '2-heptyl-4(1H)-quinolone synthase PqsD' and Ligand = 'BDBM50079710'   
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)
BDBM50079710
PNG
(CHEMBL3414797)
Show SMILES OC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cc(sc1C(O)=O)-c1ccccc1 |r|
Show InChI InChI=1/C21H18N2O5S/c24-19(25)16(11-13-7-3-1-4-8-13)23-21(28)22-15-12-17(29-18(15)20(26)27)14-9-5-2-6-10-14/h1-10,12,16H,11H2,(H,24,25)(H,26,27)(H2,22,23,28)/t16-/s2
PDB

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.80E+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