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Assay Detail

CHEMBL4677729

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

Binding
Inhibition of histidine-tagged Pseudomonas aeruginosa LpxC (1-303) expressed in Escherichia coli BL21 (DE3) using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate measured after 60 mins by Fluorescence plate reader analysis
25
Total Activities
25
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Pseudomonas aeruginosa
Confidence 8 — Homologous single protein target
Curated By Autocuration

Target

UDP-3-O-acyl-N-acetylglucosamine deacetylase (CHEMBL3855)
Type SINGLE PROTEIN
Organism Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG12228)

Publication

Fragment-Based Discovery of Novel Non-Hydroxamate LpxC Inhibitors with Antibacterial Activity.
Yamada Y,Takashima H,Walmsley DL,Ushiyama F,Matsuda Y,Kanazawa H,Yamaguchi-Sasaki T,Tanaka-Yamamoto N,Yamagishi J,Kurimoto-Tsuruta R,Ogata Y,Ohtake N,Angove H,Baker L,Harris R,Macias A,Robertson A,Surgenor A,Watanabe H,Nakano K,Mima M,Iwamoto K,Okada A,Takata I,Hitaka K,Tanaka A,Fujita K,Sugiyama H,Hubbard RE
J Med Chem (2020) 63 : 14805 -14820
PubMed 33210531 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 25 5.78 8.39

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4752810 1 8.39
CHEMBL4763699 1 8.36
CHEMBL4779477 1 8.33
CHEMBL4798463 1 8.15
CHEMBL4795002 1 8.05
CHEMBL4747965 1 7.70
CHEMBL4750316 1 7.32
CHEMBL4793599 1 6.88
CHEMBL4794374 1 6.79
CHEMBL4791421 1 6.25
CHEMBL4795750 1 6.05
CHEMBL4757624 1 5.85
CHEMBL4759498 1 5.62
CHEMBL4751265 1 5.41
CHEMBL4747127 1 4.98
CHEMBL4794206 1 4.98
CHEMBL4177101 1 4.22
CHEMBL4763800 1 3.97
CHEMBL213493 1 3.96
CHEMBL2285864 1 3.84
CHEMBL4792585 1 3.67
CHEMBL4792641 1 3.58
CHEMBL4760487 1 3.33
CHEMBL4800171 1 2.95
CHEMBL379290 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4752810 IC50 = 4.03 nM 8.39
CHEMBL4763699 IC50 = 4.42 nM 8.36
CHEMBL4779477 IC50 = 4.63 nM 8.33
CHEMBL4798463 IC50 = 7.04 nM 8.15
CHEMBL4795002 IC50 = 8.96 nM 8.05
CHEMBL4747965 IC50 = 20.0 nM 7.70
CHEMBL4750316 IC50 = 47.5 nM 7.32
CHEMBL4793599 IC50 = 133.0 nM 6.88
CHEMBL4794374 IC50 = 161.0 nM 6.79
CHEMBL4791421 IC50 = 568.0 nM 6.25
CHEMBL4795750 IC50 = 884.0 nM 6.05
CHEMBL4757624 IC50 = 1400.0 nM 5.85
CHEMBL4759498 IC50 = 2400.0 nM 5.62
CHEMBL4751265 IC50 = 3940.0 nM 5.41
CHEMBL4747127 IC50 = 10400.0 nM 4.98
CHEMBL4794206 IC50 = 10400.0 nM 4.98
CHEMBL4177101 IC50 = 60400.0 nM 4.22
CHEMBL4763800 IC50 = 108000.0 nM 3.97
CHEMBL213493 IC50 = 111000.0 nM 3.96
CHEMBL2285864 IC50 = 144000.0 nM 3.84
CHEMBL4792585 IC50 = 214000.0 nM 3.67
CHEMBL4792641 IC50 = 261000.0 nM 3.58
CHEMBL4760487 IC50 = 466000.0 nM 3.33
CHEMBL4800171 IC50 = 1130000.0 nM 2.95
CHEMBL379290 IC50 - -