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Assay Detail

CHEMBL4835526

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Binding
Binding affinity to human recombinant His-tagged Keap1 Kelch domain (321 to 609 residues) expressed in Escherichia coli BL21 (DE3) assessed as dissociation constant by surface plasmon resonance method
18
Total Activities
18
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

Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds.
Pallesen JS, Narayanan D, Tran KT, Solbak SMØ, Marseglia G, Sørensen LME, Høj LJ, Munafò F, Carmona RMC, Garcia AD, Desu HL, Brambilla R, Johansen TN, Popowicz GM, Sattler M, Gajhede M, Bach A.
J Med Chem (2021) 64 : 4623 -4661
PubMed 33818106 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 18 3.05 5.54

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4865680 1 5.54
CHEMBL4871793 1 3.66
CHEMBL4876857 1 3.38
CHEMBL4849223 1 3.15
CHEMBL181686 1 3.02
CHEMBL4859873 1 3.00
CHEMBL193664 1 3.00
CHEMBL83148 PHENYL(PHENYLSULFONYL)AMINE 1 2.96
CHEMBL4867889 1 2.96
CHEMBL1945331 1 2.92
CHEMBL57394 1 2.92
CHEMBL4879253 1 2.85
CHEMBL4870439 1 2.82
CHEMBL1452067 1 2.70
CHEMBL4856558 1 2.64
CHEMBL851 PHENYL PROPIONIC ACID 1 2.50
CHEMBL24367 1 2.43
CHEMBL3086212 1 2.41

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4865680 Kd = 2900.0 nM 5.54
CHEMBL4871793 Kd = 220000.0 nM 3.66
CHEMBL4876857 Kd = 420000.0 nM 3.38
CHEMBL4849223 Kd = 700000.0 nM 3.15
CHEMBL181686 Kd = 960000.0 nM 3.02
CHEMBL4859873 Kd = 1000000.0 nM 3.00
CHEMBL193664 Kd = 990000.0 nM 3.00
CHEMBL83148 PHENYL(PHENYLSULFONYL)AMINE Kd = 1100000.0 nM 2.96
CHEMBL4867889 Kd = 1100000.0 nM 2.96
CHEMBL1945331 Kd = 1200000.0 nM 2.92
CHEMBL57394 Kd = 1200000.0 nM 2.92
CHEMBL4879253 Kd = 1400000.0 nM 2.85
CHEMBL4870439 Kd = 1500000.0 nM 2.82
CHEMBL1452067 Kd = 2000000.0 nM 2.70
CHEMBL4856558 Kd = 2300000.0 nM 2.64
CHEMBL851 PHENYL PROPIONIC ACID Kd = 3200000.0 nM 2.50
CHEMBL24367 Kd = 3700000.0 nM 2.43
CHEMBL3086212 Kd = 3900000.0 nM 2.41