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Assay Detail

CHEMBL4383162

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

Binding
Binding affinity to Pseudomonas aeruginosa PAO1 NB52019 LpxC after 60 to 420 secs by SPR method
16
Total Activities
16
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Pseudomonas aeruginosa PAO1
Confidence 9 — Direct 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

Application of Virtual Screening to the Identification of New LpxC Inhibitor Chemotypes, Oxazolidinone and Isoxazoline.
Lee PS, Lapointe G, Madera AM, Simmons RL, Xu W, Yifru A, Tjandra M, Karur S, Rico A, Thompson K, Bojkovic J, Xie L, Uehara K, Liu A, Shu W, Bellamacina C, McKenney D, Morris L, Tonn GR, Osborne C, Benton BM, McDowell L, Fu J, Sweeney ZK.
J Med Chem (2018) 61 : 9360 -9370
PubMed 30226381 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 16 9.76 10.59

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4464418 1 10.59
CHEMBL4517452 1 10.20
CHEMBL4437188 1 10.19
CHEMBL4514246 1 10.00
CHEMBL4473969 1 9.92
CHEMBL4466622 1 9.92
CHEMBL4529054 1 9.92
CHEMBL4471512 1 9.77
CHEMBL4439209 1 9.77
CHEMBL4456426 1 9.70
CHEMBL4562023 1 9.70
CHEMBL4569495 1 9.68
CHEMBL4444870 1 9.52
CHEMBL4462003 1 9.36
CHEMBL260091 1 9.32
CHEMBL4472717 1 8.59

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4464418 Kd = 0.026 nM 10.59
CHEMBL4517452 Kd = 0.063 nM 10.20
CHEMBL4437188 Kd = 0.065 nM 10.19
CHEMBL4514246 Kd = 0.1 nM 10.00
CHEMBL4473969 Kd = 0.12 nM 9.92
CHEMBL4466622 Kd = 0.12 nM 9.92
CHEMBL4529054 Kd = 0.12 nM 9.92
CHEMBL4471512 Kd = 0.17 nM 9.77
CHEMBL4439209 Kd = 0.17 nM 9.77
CHEMBL4456426 Kd = 0.2 nM 9.70
CHEMBL4562023 Kd = 0.2 nM 9.70
CHEMBL4569495 Kd = 0.21 nM 9.68
CHEMBL4444870 Kd = 0.3 nM 9.52
CHEMBL4462003 Kd = 0.44 nM 9.36
CHEMBL260091 Kd = 0.48 nM 9.32
CHEMBL4472717 Kd = 2.6 nM 8.59