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Assay Detail

CHEMBL4264696

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

Binding
Inhibition of recombinant human full length N-terminal GST-tagged BTK (2 to 659 residues) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKKK-NH2 substrate measured after 90 mins by off-chip mobility shift 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

Tyrosine-protein kinase BTK (CHEMBL5251)
Type SINGLE PROTEIN
Organism Homo sapiens

Publication

Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk.
Caldwell R, Liu-Bujalski L, Qiu H, Mochalkin I, Jones R, Neagu C, Goutopoulos A, Grenningloh R, Johnson T, Sherer B, Gardberg A, Follis AV, Morandi F, Head J.
Bioorg Med Chem Lett (2018) 28 : 3419 -3424
PubMed 30290988 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 20 8.47 10.05

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4279353 1 10.05
CHEMBL4276669 1 10.00
CHEMBL1873475 IBRUTINIB 4.0 1 9.70
CHEMBL4279430 1 9.52
CHEMBL4290540 1 9.30
CHEMBL4281335 1 9.22
CHEMBL4277754 1 8.96
CHEMBL4292583 1 8.89
CHEMBL4245727 1 8.82
CHEMBL4285813 1 8.80
CHEMBL4277875 1 8.72
CHEMBL4291033 1 8.10
CHEMBL4280401 1 7.96
CHEMBL4286664 1 7.80
CHEMBL4293010 1 7.79
CHEMBL4287216 1 6.75
CHEMBL4282745 1 6.30
CHEMBL4289625 1 5.80
CHEMBL4279288 1 -
CHEMBL4290625 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4279353 IC50 = 0.09 nM 10.05
CHEMBL4276669 IC50 = 0.1 nM 10.00
CHEMBL1873475 IBRUTINIB IC50 = 0.2 nM 9.70
CHEMBL4279430 IC50 = 0.3 nM 9.52
CHEMBL4290540 IC50 = 0.5 nM 9.30
CHEMBL4281335 IC50 = 0.6 nM 9.22
CHEMBL4277754 IC50 = 1.1 nM 8.96
CHEMBL4292583 IC50 = 1.3 nM 8.89
CHEMBL4245727 IC50 = 1.5 nM 8.82
CHEMBL4285813 IC50 = 1.6 nM 8.80
CHEMBL4277875 IC50 = 1.9 nM 8.72
CHEMBL4291033 IC50 = 8.0 nM 8.10
CHEMBL4280401 IC50 = 11.0 nM 7.96
CHEMBL4286664 IC50 = 16.0 nM 7.80
CHEMBL4293010 IC50 = 16.2 nM 7.79
CHEMBL4287216 IC50 = 180.0 nM 6.75
CHEMBL4282745 IC50 = 500.0 nM 6.30
CHEMBL4289625 IC50 = 1600.0 nM 5.80
CHEMBL4279288 IC50 > 6000.0 nM -
CHEMBL4290625 IC50 > 6000.0 nM -