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BDBM50079696 CHEMBL3414800

SMILES: COc1ccc2C3SC(C(O)=O)=C(NC(=O)N[C@@H](Cc4ccccc4)C(O)=O)C3CCc2c1

InChI Key: InChIKey=GQBBINCLLKVUPP-PMXIEOQVNA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50079696   
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)
BDBM50079696
PNG
(CHEMBL3414800)
Show SMILES COc1ccc2C3SC(C(O)=O)=C(NC(=O)N[C@@H](Cc4ccccc4)C(O)=O)C3CCc2c1
Show InChI InChI=1/C24H24N2O6S/c1-32-15-8-10-16-14(12-15)7-9-17-19(21(23(29)30)33-20(16)17)26-24(31)25-18(22(27)28)11-13-5-3-2-4-6-13/h2-6,8,10,12,17-18,20H,7,9,11H2,1H3,(H,27,28)(H,29,30)(H2,25,26,31)/t17?,18-,20?/s2
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.37E+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