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Found 1 hit Enz. Inhib. hit(s) with Target = '2-heptyl-4(1H)-quinolone synthase PqsD' and Ligand = 'BDBM50079640'   
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)
BDBM50079640
PNG
(CHEMBL3414808)
Show SMILES COc1ccc(cc1)-c1cc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)SCCNC(C)=O)c(s1)C(O)=O |r|
Show InChI InChI=1/C26H27N3O6S2/c1-16(30)27-12-13-36-25(33)21(14-17-6-4-3-5-7-17)29-26(34)28-20-15-22(37-23(20)24(31)32)18-8-10-19(35-2)11-9-18/h3-11,15,21H,12-14H2,1-2H3,(H,27,30)(H,31,32)(H2,28,29,34)/t21-/s2
PDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.20E+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