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Assay Detail

CHEMBL4616764

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

Binding
Inhibition of recombinant human BTK using fluoresceinated peptide as substrate after 60 mins fluorescence 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 Branebrutinib (BMS-986195): A Strategy for Identifying a Highly Potent and Selective Covalent Inhibitor Providing Rapid in Vivo Inactivation of Bruton's Tyrosine Kinase (BTK).
Watterson SH, Liu Q, Beaudoin Bertrand M, Batt DG, Li L, Pattoli MA, Skala S, Cheng L, Obermeier MT, Moore R, Yang Z, Vickery R, Elzinga PA, Discenza L, D'Arienzo C, Gillooly KM, Taylor TL, Pulicicchio C, Zhang Y, Heimrich E, McIntyre KW, Ruan Q, Westhouse RA, Catlett IM, Zheng N, Chaudhry C, Dai J, Galella MA, Tebben AJ, Pokross M, Li J, Zhao R, Smith D, Rampulla R, Allentoff A, Wallace MA, Mathur A, Salter-Cid L, Macor JE, Carter PH, Fura A, Burke JR, Tino JA.
J Med Chem (2019) 62 : 3228 -3250
PubMed 30893553 · DOI

Activity Statistics

Type Count Avg pChEMBL Best pChEMBL
IC50 20 8.83 10.15

Compounds Tested

Compound Name Phase Activities Best pChEMBL
CHEMBL4648442 1 10.15
CHEMBL1873475 IBRUTINIB 4.0 1 10.10
CHEMBL4297674 BRANEBRUTINIB 2.0 1 10.00
CHEMBL4634162 1 9.85
CHEMBL4642827 1 9.28
CHEMBL4645440 1 9.22
CHEMBL4646648 1 9.07
CHEMBL4641586 1 8.92
CHEMBL4638741 1 8.85
CHEMBL4649352 1 8.85
CHEMBL4640555 1 8.80
CHEMBL4649284 1 8.62
CHEMBL4644786 1 8.48
CHEMBL4639092 1 8.48
CHEMBL4642103 1 8.46
CHEMBL4646406 1 8.38
CHEMBL4634526 1 8.19
CHEMBL4643248 1 8.08
CHEMBL4633931 1 7.54
CHEMBL4640731 1 7.23

Activity Data

Compound Name Type Rel. Value Units pChEMBL
CHEMBL4648442 IC50 = 0.07 nM 10.15
CHEMBL1873475 IBRUTINIB IC50 = 0.08 nM 10.10
CHEMBL4297674 BRANEBRUTINIB IC50 = 0.1 nM 10.00
CHEMBL4634162 IC50 = 0.14 nM 9.85
CHEMBL4642827 IC50 = 0.52 nM 9.28
CHEMBL4645440 IC50 = 0.6 nM 9.22
CHEMBL4646648 IC50 = 0.85 nM 9.07
CHEMBL4641586 IC50 = 1.2 nM 8.92
CHEMBL4638741 IC50 = 1.4 nM 8.85
CHEMBL4649352 IC50 = 1.4 nM 8.85
CHEMBL4640555 IC50 = 1.6 nM 8.80
CHEMBL4649284 IC50 = 2.4 nM 8.62
CHEMBL4644786 IC50 = 3.3 nM 8.48
CHEMBL4639092 IC50 = 3.3 nM 8.48
CHEMBL4642103 IC50 = 3.5 nM 8.46
CHEMBL4646406 IC50 = 4.2 nM 8.38
CHEMBL4634526 IC50 = 6.5 nM 8.19
CHEMBL4643248 IC50 = 8.4 nM 8.08
CHEMBL4633931 IC50 = 29.0 nM 7.54
CHEMBL4640731 IC50 = 59.0 nM 7.23