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Assay Detail

CHEMBL5239751

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

Binding
Inhibition of BODIPY FL vindoline binding to recombinant human GST-tagged PXR LBD (111 to 434 residues) expressed in baculovirus infected insect cells incubated for 1 mins under shaking condition followed by 60 mins under dark condition by TR-FRET assay
92
Total Activities
92
Compounds Tested
2
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
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 78 6.50 8.40
Inhibition 14 - -

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5277255 1 8.40
CHEMBL5284539 1 8.22
CHEMBL5282848 1 8.15
CHEMBL5285451 1 8.15
CHEMBL5274748 1 7.96
CHEMBL5288280 1 7.92
CHEMBL5274800 1 7.85
CHEMBL5277006 1 7.82
CHEMBL5290100 1 7.80
CHEMBL5269977 1 7.80
CHEMBL5281952 1 7.75
CHEMBL5289969 1 7.70
CHEMBL5271698 1 7.66
CHEMBL5276468 1 7.66
CHEMBL62136 T091317 1 7.58
CHEMBL5286999 1 7.58
CHEMBL5291207 1 7.57
CHEMBL5277482 1 7.57
CHEMBL5280042 1 7.55
CHEMBL5288757 1 7.41
CHEMBL5290088 1 7.40
CHEMBL5278206 1 7.28
CHEMBL5270384 1 7.23
CHEMBL5267038 1 7.16
CHEMBL5277595 1 7.07
CHEMBL5287237 1 7.03
CHEMBL5286475 1 6.92
CHEMBL5267901 1 6.92
CHEMBL5266231 1 6.77
CHEMBL5316222 1 6.68

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5277255 IC50 = 4.0 nM 8.40
CHEMBL5284539 IC50 = 6.0 nM 8.22
CHEMBL5285451 IC50 = 7.0 nM 8.15
CHEMBL5282848 IC50 = 7.0 nM 8.15
CHEMBL5274748 IC50 = 11.0 nM 7.96
CHEMBL5288280 IC50 = 12.0 nM 7.92
CHEMBL5274800 IC50 = 14.0 nM 7.85
CHEMBL5277006 IC50 = 15.0 nM 7.82
CHEMBL5290100 IC50 = 16.0 nM 7.80
CHEMBL5269977 IC50 = 16.0 nM 7.80
CHEMBL5281952 IC50 = 18.0 nM 7.75
CHEMBL5289969 IC50 = 20.0 nM 7.70
CHEMBL5271698 IC50 = 22.0 nM 7.66
CHEMBL5276468 IC50 = 22.0 nM 7.66
CHEMBL5286999 IC50 = 26.0 nM 7.58
CHEMBL62136 T091317 IC50 = 26.0 nM 7.58
CHEMBL5291207 IC50 = 27.0 nM 7.57
CHEMBL5277482 IC50 = 27.0 nM 7.57
CHEMBL5280042 IC50 = 28.0 nM 7.55
CHEMBL5288757 IC50 = 39.0 nM 7.41
CHEMBL5290088 IC50 = 40.0 nM 7.40
CHEMBL5278206 IC50 = 53.0 nM 7.28
CHEMBL5270384 IC50 = 59.0 nM 7.23
CHEMBL5267038 IC50 = 70.0 nM 7.16
CHEMBL5277595 IC50 = 85.0 nM 7.07
CHEMBL5287237 IC50 = 93.0 nM 7.03
CHEMBL5267901 IC50 = 120.0 nM 6.92
CHEMBL5286475 IC50 = 120.0 nM 6.92
CHEMBL5266231 IC50 = 170.0 nM 6.77
CHEMBL5316222 IC50 = 210.0 nM 6.68
CHEMBL5276535 IC50 = 210.0 nM 6.68
CHEMBL5271913 IC50 = 260.0 nM 6.58
CHEMBL5287939 IC50 = 270.0 nM 6.57
CHEMBL5269205 IC50 = 280.0 nM 6.55
CHEMBL5278057 IC50 = 330.0 nM 6.48
CHEMBL5273565 IC50 = 330.0 nM 6.48
CHEMBL5268267 IC50 = 360.0 nM 6.44
CHEMBL5276676 IC50 = 440.0 nM 6.36
CHEMBL5277632 IC50 = 450.0 nM 6.35
CHEMBL5276756 IC50 = 470.0 nM 6.33
CHEMBL5289489 IC50 = 500.0 nM 6.30
CHEMBL5290246 IC50 = 530.0 nM 6.28
CHEMBL5269952 IC50 = 540.0 nM 6.27
CHEMBL5287648 IC50 = 580.0 nM 6.24
CHEMBL5266983 IC50 = 630.0 nM 6.20
CHEMBL5273045 IC50 = 650.0 nM 6.19
CHEMBL5272707 IC50 = 700.0 nM 6.16
CHEMBL5273985 IC50 = 730.0 nM 6.14
CHEMBL5279641 IC50 = 750.0 nM 6.12
CHEMBL5287193 IC50 = 1000.0 nM 6.00