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BDBM50079657 CHEMBL3414803

SMILES: OCc1ccc(cc1)-c1cccc(c1)-c1cc(NC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(s1)C(O)=O

InChI Key: InChIKey=QQXCZIGTHLEUAQ-QWVACARCNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079657   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50079657
PNG
(CHEMBL3414803)
Show SMILES OCc1ccc(cc1)-c1cccc(c1)-c1cc(NC(=O)N[C@@H](Cc2ccccc2)C(O)=O)c(s1)C(O)=O
Show InChI InChI=1/C28H24N2O6S/c31-16-18-9-11-19(12-10-18)20-7-4-8-21(14-20)24-15-22(25(37-24)27(34)35)29-28(36)30-23(26(32)33)13-17-5-2-1-3-6-17/h1-12,14-15,23,31H,13,16H2,(H,32,33)(H,34,35)(H2,29,30,36)/t23-/s2
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Article
PubMed
n/an/a 1.94E+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)

More data for this
Ligand-Target Pair