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BDBM50079706 CHEMBL3414799

SMILES: COc1ccc(-c2cc(NC(=O)N[C@@H](Cc3ccccc3)C(O)=O)c(s2)C(O)=O)c(C)c1

InChI Key: InChIKey=RYFBJWONIPULLC-LGWFVXIRNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079706   
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)
BDBM50079706
PNG
(CHEMBL3414799)
Show SMILES COc1ccc(-c2cc(NC(=O)N[C@@H](Cc3ccccc3)C(O)=O)c(s2)C(O)=O)c(C)c1
Show InChI InChI=1/C23H22N2O6S/c1-13-10-15(31-2)8-9-16(13)19-12-17(20(32-19)22(28)29)24-23(30)25-18(21(26)27)11-14-6-4-3-5-7-14/h3-10,12,18H,11H2,1-2H3,(H,26,27)(H,28,29)(H2,24,25,30)/t18-/s2
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PC sid
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Similars

Article
PubMed
n/an/a 7.50E+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)

More data for this
Ligand-Target Pair