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Assay Detail

CHEMBL4615773

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

Binding
Displacement of AF647-9-mer ETGE peptide from recombinant human biotinylated KEAP1 Kelch domain (322 to 609 residues) expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins followed by AF647-9-mer ETGE peptide addition and measured after 60 mins by TR-FRET assay
20
Total Activities
20
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

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

Publication

Combined Peptide and Small-Molecule Approach toward Nonacidic THIQ Inhibitors of the KEAP1/NRF2 Interaction.
Ontoria JM, Biancofiore I, Fezzardi P, Ferrigno F, Torrente E, Colarusso S, Bianchi E, Andreini M, Patsilinakos A, Kempf G, Augustin M, Steinbacher S, Summa V, Pacifici R, Muñoz-Sanjuan I, Park L, Bresciani A, Dominguez C, Sherman LT, Harper S.
ACS Med Chem Lett (2020) 11 : 740 -746
PubMed 32435379 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 20 5.82 7.01

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4639381 1 7.01
CHEMBL4636738 1 6.74
CHEMBL3134422 1 6.70
CHEMBL4634711 1 6.59
CHEMBL2381968 1 6.10
CHEMBL4638389 1 6.06
CHEMBL4645065 1 5.89
CHEMBL4645109 1 5.81
CHEMBL4642536 1 5.70
CHEMBL4648717 1 5.59
CHEMBL4642135 1 5.57
CHEMBL4649380 1 5.51
CHEMBL4639835 1 5.33
CHEMBL4635272 1 5.26
CHEMBL4641843 1 5.26
CHEMBL4647979 1 5.23
CHEMBL4633579 1 4.54
CHEMBL4637259 1 -
CHEMBL4638535 1 -
CHEMBL4648472 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4639381 IC50 = 98.0 nM 7.01
CHEMBL4636738 IC50 = 183.0 nM 6.74
CHEMBL3134422 IC50 = 200.0 nM 6.70
CHEMBL4634711 IC50 = 254.0 nM 6.59
CHEMBL2381968 IC50 = 792.0 nM 6.10
CHEMBL4638389 IC50 = 862.0 nM 6.06
CHEMBL4645065 IC50 = 1275.0 nM 5.89
CHEMBL4645109 IC50 = 1558.0 nM 5.81
CHEMBL4642536 IC50 = 1976.0 nM 5.70
CHEMBL4648717 IC50 = 2545.0 nM 5.59
CHEMBL4642135 IC50 = 2700.0 nM 5.57
CHEMBL4649380 IC50 = 3102.0 nM 5.51
CHEMBL4639835 IC50 = 4682.0 nM 5.33
CHEMBL4635272 IC50 = 5456.0 nM 5.26
CHEMBL4641843 IC50 = 5539.0 nM 5.26
CHEMBL4647979 IC50 = 5900.0 nM 5.23
CHEMBL4633579 IC50 = 29000.0 nM 4.54
CHEMBL4637259 IC50 > 64000.0 nM -
CHEMBL4638535 IC50 > 64000.0 nM -
CHEMBL4648472 IC50 > 50000.0 nM -