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Assay Detail

CHEMBL4386551

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

Binding
Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged KEAP1 Kelch domain (321 to 609 residues) expressed in baculovirus infected Sf9 insect cells by fluorescence polarization assay
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type Sf9
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

Kelch-like ECH-associated protein 1 (CHEMBL2069156)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Structure-Activity and Structure-Conformation Relationships of Aryl Propionic Acid Inhibitors of the Kelch-like ECH-Associated Protein 1/Nuclear Factor Erythroid 2-Related Factor 2 (KEAP1/NRF2) Protein-Protein Interaction.
Heightman TD, Callahan JF, Chiarparin E, Coyle JE, Griffiths-Jones C, Lakdawala AS, McMenamin R, Mortenson PN, Norton D, Peakman TM, Rich SJ, Richardson C, Rumsey WL, Sanchez Y, Saxty G, Willems HMG, Wolfe L, Woolford AJ, Wu Z, Yan H, Kerns JK, Davies TG.
J Med Chem (2019) 62 : 4683 -4702
PubMed 30973731 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 20 6.66 8.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4450921 1 8.00
CHEMBL4447060 1 7.70
CHEMBL4578025 1 7.62
CHEMBL4540327 1 7.43
CHEMBL4457466 1 7.38
CHEMBL4464511 1 7.33
CHEMBL4554007 1 7.16
CHEMBL4473977 1 6.89
CHEMBL4454051 1 6.75
CHEMBL4567490 1 6.58
CHEMBL4542179 1 6.50
CHEMBL4570791 1 6.24
CHEMBL4452805 1 5.62
CHEMBL4552527 1 4.36
CHEMBL4436743 1 4.33
CHEMBL4443801 1 -
CHEMBL4528658 1 -
CHEMBL4461044 1 -
CHEMBL4572418 1 -
CHEMBL4588168 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4450921 IC50 = 10.0 nM 8.00
CHEMBL4447060 IC50 = 20.0 nM 7.70
CHEMBL4578025 IC50 = 24.0 nM 7.62
CHEMBL4540327 IC50 = 37.0 nM 7.43
CHEMBL4457466 IC50 = 42.0 nM 7.38
CHEMBL4464511 IC50 = 47.0 nM 7.33
CHEMBL4554007 IC50 = 69.0 nM 7.16
CHEMBL4473977 IC50 = 130.0 nM 6.89
CHEMBL4454051 IC50 = 180.0 nM 6.75
CHEMBL4567490 IC50 = 260.0 nM 6.58
CHEMBL4542179 IC50 = 320.0 nM 6.50
CHEMBL4570791 IC50 = 580.0 nM 6.24
CHEMBL4452805 IC50 = 2400.0 nM 5.62
CHEMBL4552527 IC50 = 44000.0 nM 4.36
CHEMBL4436743 IC50 = 47000.0 nM 4.33
CHEMBL4443801 IC50 > 1000000.0 nM -
CHEMBL4528658 IC50 = 140000.0 nM -
CHEMBL4461044 IC50 = 330000.0 nM -
CHEMBL4572418 IC50 = 170000.0 nM -
CHEMBL4588168 IC50 = 260000.0 nM -