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Assay Detail

CHEMBL4375192

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

Binding
Covalent inhibition of N-terminal GST-fused human BTK (2-659(end) amino acids) expressed in baculovirus expression system using FITC-AHA-EEPLYWSFPAKKK-NH2 as substrate incubated for 90 mins by microfluidic off-Chip Mobility Shift Assay
31
Total Activities
31
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 Evobrutinib: An Oral, Potent, and Highly Selective, Covalent Bruton's Tyrosine Kinase (BTK) Inhibitor for the Treatment of Immunological Diseases.
Caldwell RD, Qiu H, Askew BC, Bender AT, Brugger N, Camps M, Dhanabal M, Dutt V, Eichhorn T, Gardberg AS, Goutopoulos A, Grenningloh R, Head J, Healey B, Hodous BL, Huck BR, Johnson TL, Jones C, Jones RC, Mochalkin I, Morandi F, Nguyen N, Meyring M, Potnick JR, Santos DC, Schmidt R, Sherer B, Shutes A, Urbahns K, Follis AV, Wegener AA, Zimmerli SC, Liu-Bujalski L.
J Med Chem (2019) 62 : 7643 -7655
PubMed 31368705 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 31 7.75 9.70

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4543998 1 9.70
CHEMBL4466205 1 9.70
CHEMBL4532368 1 9.22
CHEMBL4459438 1 9.10
CHEMBL4515024 1 8.68
CHEMBL4528630 1 8.54
CHEMBL4554990 1 8.40
CHEMBL4461455 1 8.30
CHEMBL4469004 1 8.26
CHEMBL4476695 1 8.23
CHEMBL4468148 1 8.19
CHEMBL4436563 1 8.10
CHEMBL4072833 EVOBRUTINIB 3.0 1 8.05
CHEMBL4548457 1 8.05
CHEMBL4441219 1 8.00
CHEMBL4469908 1 7.85
CHEMBL4537274 1 7.75
CHEMBL4542934 1 7.68
CHEMBL4550271 1 7.64
CHEMBL4475457 1 7.48
CHEMBL4588680 1 7.36
CHEMBL4539748 1 6.82
CHEMBL4453568 1 6.80
CHEMBL4587672 1 6.54
CHEMBL47940 1 6.51
CHEMBL4572535 1 6.14
CHEMBL4472627 1 5.92
CHEMBL4586433 1 5.82
CHEMBL4558157 1 5.82
CHEMBL4553343 1 -

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4543998 IC50 = 0.2 nM 9.70
CHEMBL4466205 IC50 = 0.2 nM 9.70
CHEMBL4532368 IC50 = 0.6 nM 9.22
CHEMBL4459438 IC50 = 0.8 nM 9.10
CHEMBL4515024 IC50 = 2.1 nM 8.68
CHEMBL4528630 IC50 = 2.9 nM 8.54
CHEMBL4554990 IC50 = 4.0 nM 8.40
CHEMBL4461455 IC50 = 5.0 nM 8.30
CHEMBL4469004 IC50 = 5.5 nM 8.26
CHEMBL4476695 IC50 = 5.9 nM 8.23
CHEMBL4468148 IC50 = 6.5 nM 8.19
CHEMBL4436563 IC50 = 8.0 nM 8.10
CHEMBL4072833 EVOBRUTINIB IC50 = 8.9 nM 8.05
CHEMBL4548457 IC50 = 9.0 nM 8.05
CHEMBL4441219 IC50 = 9.9 nM 8.00
CHEMBL4469908 IC50 = 14.0 nM 7.85
CHEMBL4537274 IC50 = 18.0 nM 7.75
CHEMBL4542934 IC50 = 21.0 nM 7.68
CHEMBL4550271 IC50 = 23.0 nM 7.64
CHEMBL4475457 IC50 = 33.0 nM 7.48
CHEMBL4588680 IC50 = 44.0 nM 7.36
CHEMBL4539748 IC50 = 150.0 nM 6.82
CHEMBL4453568 IC50 = 160.0 nM 6.80
CHEMBL4587672 IC50 = 290.0 nM 6.54
CHEMBL47940 IC50 = 310.0 nM 6.51
CHEMBL4572535 IC50 = 730.0 nM 6.14
CHEMBL4472627 IC50 = 1200.0 nM 5.92
CHEMBL4586433 IC50 = 1510.0 nM 5.82
CHEMBL4558157 IC50 = 1500.0 nM 5.82
CHEMBL4553343 IC50 > 10000.0 nM -
CHEMBL4547696 IC50 > 100000.0 nM -