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Assay Detail

CHEMBL4358516

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

ADMET
Binding affinity to DNA-tagged recombinant TEC (unknown origin) measured after 1 hr by biotinylated-ligand affinity bead-based qPCR analysis
6
Total Activities
6
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

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

Target

Tyrosine-protein kinase Tec (CHEMBL4246)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of LOU064 (Remibrutinib), a Potent and Highly Selective Covalent Inhibitor of Bruton's Tyrosine Kinase.
Angst D, Gessier F, Janser P, Vulpetti A, Wälchli R, Beerli C, Littlewood-Evans A, Dawson J, Nuesslein-Hildesheim B, Wieczorek G, Gutmann S, Scheufler C, Hinniger A, Zimmerlin A, Funhoff EG, Pulz R, Cenni B.
J Med Chem (2020) 63 : 5102 -5118
PubMed 32083858 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
Kd 6 8.19 9.00

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4297674 BRANEBRUTINIB 2.0 1 9.00
CHEMBL1873475 IBRUTINIB 4.0 1 8.77
CHEMBL4072833 EVOBRUTINIB 3.0 1 8.35
CHEMBL4071161 TIRABRUTINIB 4.0 1 8.21
CHEMBL3707348 ACALABRUTINIB 4.0 1 7.85
CHEMBL4483575 REMIBRUTINIB 3.0 1 6.96

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4297674 BRANEBRUTINIB Kd = 0.99 nM 9.00
CHEMBL1873475 IBRUTINIB Kd = 1.7 nM 8.77
CHEMBL4072833 EVOBRUTINIB Kd = 4.5 nM 8.35
CHEMBL4071161 TIRABRUTINIB Kd = 6.2 nM 8.21
CHEMBL3707348 ACALABRUTINIB Kd = 14.0 nM 7.85
CHEMBL4483575 REMIBRUTINIB Kd = 110.0 nM 6.96