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Assay Detail

CHEMBL3399322

Review assay metadata, readout intent, target linkage, and publication context from the same page.

Binding
Inhibition of Pseudomonas aeruginosa recombinant PqsD expressed in Escherichia coli BL21 (lambdaDE3) using ACoA/beta-ketodecanoic acid as substrate after 10 mins
9
Total Activities
9
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Pseudomonas aeruginosa
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

2-heptyl-4(1H)-quinolone synthase PqsD (CHEMBL3559673)
Type SINGLE PROTEIN
Organism Pseudomonas aeruginosa

Publication

Catechol-based substrates of chalcone synthase as a scaffold for novel inhibitors of PqsD.
Allegretta G, Weidel E, Empting M, Hartmann RW.
Eur J Med Chem (2015) 90 : 351 -359
PubMed 25437621 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 9 4.79 5.23

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3397068 1 5.23
CHEMBL3397065 1 5.10
CHEMBL3289683 1 5.07
CHEMBL3093471 1 4.85
CHEMBL3397067 1 4.70
CHEMBL3120494 1 4.64
CHEMBL3093470 1 4.64
CHEMBL136927 DIHYDROCAFFEIC ACID 1 4.57
CHEMBL17001 METHYLCAFFEATE 1 4.29

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3397068 IC50 = 5900.0 nM 5.23
CHEMBL3397065 IC50 = 7900.0 nM 5.10
CHEMBL3289683 IC50 = 8600.0 nM 5.07
CHEMBL3093471 IC50 = 14000.0 nM 4.85
CHEMBL3397067 IC50 = 20000.0 nM 4.70
CHEMBL3120494 IC50 = 23000.0 nM 4.64
CHEMBL3093470 IC50 = 23000.0 nM 4.64
CHEMBL136927 DIHYDROCAFFEIC ACID IC50 = 27000.0 nM 4.57
CHEMBL17001 METHYLCAFFEATE IC50 = 51000.0 nM 4.29