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Assay Detail

CHEMBL5509529

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

Binding
Antagonist activity at N-terminal his6-tagged human recombinant NUDT5 (1 to 208 residues) expressed in Escherichia coli Rosetta (DE3) expressed in HEK293 cells incubated for 2 hrs by nanoBRET assay
7
Total Activities
7
Compounds Tested
1
Activity Types
0
Assay Parameters

Assay Information

Assay Type Binding
Organism Homo sapiens
Cell Type HEK293
Confidence 9 — Direct single protein target
Curated By Autocuration

Target

ADP-sugar pyrophosphatase (CHEMBL4105713)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
Balıkçı E, Marques AMC, Bauer LG, Seupel R, Bennett J, Raux B, Buchan K, Simelis K, Singh U, Rogers C, Ward J, Cheng C, Szommer T, Schützenhofer K, Elkins JM, Sloman DL, Ahel I, Fedorov O, Brennan PE, Huber KVM.
J Med Chem (2024) 67 : 7245 -7259
PubMed 38635563 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
EC50 7 6.83 8.60

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL5557167 1 8.60
CHEMBL5527860 1 5.97
CHEMBL1873475 IBRUTINIB 4.0 1 5.91
CHEMBL3707348 ACALABRUTINIB 4.0 1 -
CHEMBL4297674 BRANEBRUTINIB 2.0 1 -
CHEMBL4072833 EVOBRUTINIB 3.0 1 -
CHEMBL4449342 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL5557167 EC50 = 2.5 nM 8.60
CHEMBL5527860 EC50 = 1080.0 nM 5.97
CHEMBL1873475 IBRUTINIB EC50 = 1230.0 nM 5.91
CHEMBL3707348 ACALABRUTINIB EC50 > 10000.0 nM -
CHEMBL4297674 BRANEBRUTINIB EC50 > 10000.0 nM -
CHEMBL4072833 EVOBRUTINIB EC50 > 10000.0 nM -
CHEMBL4449342 EC50 > 10000.0 nM -