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Assay Detail

CHEMBL5239755

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

Binding
Inverse agonist activity at human PXR in human HepG2 cells co-expressing luciferase gene under control of CYP3A4 promoter assessed as inhibition of receptor basal activity incubated for 24 hrs by luminescence based analysis
40
Total Activities
40
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HepG2
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Nuclear receptor subfamily 1 group I member 2 (CHEMBL3401)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Design and Optimization of 1<i>H</i>-1,2,3-Triazole-4-carboxamides as Novel, Potent, and Selective Inverse Agonists and Antagonists of PXR.
Li Y, Lin W, Chai SC, Wu J, Annu K, Chen T.
J Med Chem (2022) 65 : 16829 -16859
PubMed 36480704 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 40 6.67 9.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5284539 1 9.00
CHEMBL5286515 1 8.80
CHEMBL5290088 1 8.16
CHEMBL5282848 1 7.89
CHEMBL5284102 1 7.85
CHEMBL5286999 1 7.85
CHEMBL5316222 1 7.66
CHEMBL5276468 1 7.62
CHEMBL5277632 1 7.41
CHEMBL5288280 1 7.38
CHEMBL5288757 1 7.37
CHEMBL5277482 1 7.36
CHEMBL5276535 1 7.31
CHEMBL5266983 1 7.27
CHEMBL5291207 1 7.26
CHEMBL5266231 1 7.11
CHEMBL5287939 1 6.96
CHEMBL5271913 1 6.92
CHEMBL5272707 1 6.92
CHEMBL5273565 1 6.92
CHEMBL5277595 1 6.85
CHEMBL5289489 1 6.82
CHEMBL5266755 1 6.68
CHEMBL5279796 1 6.48
CHEMBL5287048 1 6.47
CHEMBL5274653 1 6.47
CHEMBL5287648 1 6.36
CHEMBL5273045 1 6.32
CHEMBL5269952 1 5.85
CHEMBL5269205 1 5.75

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5284539 IC50 = 1.0 nM 9.00
CHEMBL5286515 IC50 = 1.6 nM 8.80
CHEMBL5290088 IC50 = 6.9 nM 8.16
CHEMBL5282848 IC50 = 13.0 nM 7.89
CHEMBL5284102 IC50 = 14.0 nM 7.85
CHEMBL5286999 IC50 = 14.0 nM 7.85
CHEMBL5316222 IC50 = 22.0 nM 7.66
CHEMBL5276468 IC50 = 24.0 nM 7.62
CHEMBL5277632 IC50 = 39.0 nM 7.41
CHEMBL5288280 IC50 = 42.0 nM 7.38
CHEMBL5288757 IC50 = 43.0 nM 7.37
CHEMBL5277482 IC50 = 44.0 nM 7.36
CHEMBL5276535 IC50 = 49.0 nM 7.31
CHEMBL5266983 IC50 = 54.0 nM 7.27
CHEMBL5291207 IC50 = 55.0 nM 7.26
CHEMBL5266231 IC50 = 77.0 nM 7.11
CHEMBL5287939 IC50 = 110.0 nM 6.96
CHEMBL5271913 IC50 = 120.0 nM 6.92
CHEMBL5272707 IC50 = 120.0 nM 6.92
CHEMBL5273565 IC50 = 120.0 nM 6.92
CHEMBL5277595 IC50 = 140.0 nM 6.85
CHEMBL5289489 IC50 = 150.0 nM 6.82
CHEMBL5266755 IC50 = 210.0 nM 6.68
CHEMBL5279796 IC50 = 330.0 nM 6.48
CHEMBL5287048 IC50 = 340.0 nM 6.47
CHEMBL5274653 IC50 = 340.0 nM 6.47
CHEMBL5287648 IC50 = 440.0 nM 6.36
CHEMBL5273045 IC50 = 480.0 nM 6.32
CHEMBL5269952 IC50 = 1400.0 nM 5.85
CHEMBL5269205 IC50 = 1800.0 nM 5.75
CHEMBL5288604 IC50 = 2300.0 nM 5.64
CHEMBL5287193 IC50 = 3000.0 nM 5.52
CHEMBL5276751 IC50 = 3200.0 nM 5.50
CHEMBL5267285 IC50 = 4700.0 nM 5.33
CHEMBL5274837 IC50 = 5100.0 nM 5.29
CHEMBL5276688 IC50 = 8800.0 nM 5.06
CHEMBL5286479 IC50 = 8900.0 nM 5.05
CHEMBL5268870 IC50 = 10000.0 nM 5.00
CHEMBL5277096 IC50 = 21500.0 nM 4.67
CHEMBL5275863 IC50 = 26000.0 nM 4.58