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Assay Detail

CHEMBL5152972

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

Binding
Inhibition of Escherichia coli GroEL expressed in NEB-5-alpha Escherichia coli cells/Escherichia coli GroES expressed in Escherichia coli BL21(DE3) cells assessed as inhibition of GroEL/ES-mediated dRho refolding by reporter analysis
21
Total Activities
21
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Escherichia coli
Confidence 0 — Uncurated / Unknown
Curated By Autocuration

Target

Unchecked (CHEMBL612545)
Type UNCHECKED

Publication

Bis-aryl-α,β-unsaturated ketone (ABK) chaperonin inhibitors exhibit selective cytotoxicity to colorectal cancer cells that correlates with levels of aberrant HSP60 in the cytosol.
Chitre S, Ray AM, Stevens M, Doud EH, Liechty H, Washburn A, Tepper K, Sivinski J, O'Hagan HM, Georgiadis MM, Chapman E, Johnson SM.
Bioorg Med Chem (2022) 75 : 117072 -117072
PubMed 36356534 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 21 4.84 5.89

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL3115914 1 5.89
CHEMBL5178695 1 5.82
CHEMBL3115912 1 5.66
CHEMBL5209316 1 5.51
CHEMBL5177265 1 5.16
CHEMBL3115924 1 5.01
CHEMBL1927391 1 4.92
CHEMBL5170692 1 4.70
CHEMBL5202538 1 4.57
CHEMBL7976 CHALCONE 1 4.57
CHEMBL34398 4'-METHOXYCHALCONE 1 4.47
CHEMBL5185585 1 4.43
CHEMBL7747 4-HYDROXYCHALCONE 1 4.41
CHEMBL187926 1 4.40
CHEMBL105496 4-METHOXY CHALCONE 1 4.34
CHEMBL276473 4'-HYDROXYCHALCONE 1 4.21
CHEMBL1578953 1 4.17
CHEMBL463017 1 -
CHEMBL207313 1 -
CHEMBL5185073 1 -
CHEMBL490512 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL3115914 IC50 = 1300.0 nM 5.89
CHEMBL5178695 IC50 = 1500.0 nM 5.82
CHEMBL3115912 IC50 = 2200.0 nM 5.66
CHEMBL5209316 IC50 = 3100.0 nM 5.51
CHEMBL5177265 IC50 = 7000.0 nM 5.16
CHEMBL3115924 IC50 = 9700.0 nM 5.01
CHEMBL1927391 IC50 = 12000.0 nM 4.92
CHEMBL5170692 IC50 = 20000.0 nM 4.70
CHEMBL5202538 IC50 = 27000.0 nM 4.57
CHEMBL7976 CHALCONE IC50 = 27000.0 nM 4.57
CHEMBL34398 4'-METHOXYCHALCONE IC50 = 34000.0 nM 4.47
CHEMBL5185585 IC50 = 37000.0 nM 4.43
CHEMBL7747 4-HYDROXYCHALCONE IC50 = 39000.0 nM 4.41
CHEMBL187926 IC50 = 40000.0 nM 4.40
CHEMBL105496 4-METHOXY CHALCONE IC50 = 46000.0 nM 4.34
CHEMBL276473 4'-HYDROXYCHALCONE IC50 = 61000.0 nM 4.21
CHEMBL1578953 IC50 = 67000.0 nM 4.17
CHEMBL463017 IC50 = 135000.0 nM -
CHEMBL207313 IC50 > 250000.0 nM -
CHEMBL5185073 IC50 > 250000.0 nM -
CHEMBL490512 IC50 > 250000.0 nM -