zanubrutinib [Ligand Id: 9861] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL3936761 (Zanubrutinib, Brukinsa, BGB-3111, Bgb-3111)
  • Bruton tyrosine kinase/Tyrosine-protein kinase BTK in Human [ChEMBL: CHEMBL5251] [GtoPdb: 1948] [UniProtKB: Q06187]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Bruton tyrosine kinase/Tyrosine-protein kinase BTK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5251] [GtoPdb: 1948] [UniProtKB: Q06187]
ChEMBL Time-Resolved Fluorescence Resonance Energy Transfer Assay: Compounds disclosed herein were tested for inhibition of Btk kinase activity in an assay based on time-resolved fluorescence resonance energy transfer methodology. Recombinant Btk was pre-incubated with the compounds disclosed herein at room temperature for 1 hour in an assay buffer containing 50 mM Tris pH7.4, 10 mM MgCl2, 2 mM MnCl2, 0.1 mM EDTA, 1 mM DT, 20 nM SEB, 0.1% BSA, 0.005% tween-20. The reactions were initiated by the addition of ATP (at the concentration of ATP Km) and peptide substrate (Biotin-AVLESEEELYSSARQ-NH2). After incubating at room temperature for 1 h, an equal volume of stop solution containing 50 mM HEPES pH7.0, 800 mM KF, 20 mM EDTA, 0.1% BSA, Eu cryptate-conjugated p-Tyr66 antibody and streptavidin-labeled XL665 was added to stop the reaction. Plates were further incubated at room temperature for 1 hour, and then the TR-FRET signals (ex337 nm, em 620 nm/665 nm) were read on BMG PHERAstar FS instrument. The residual enzyme activity in presence of increasing concentrations of compounds was calculated based on the ratio of fluorescence at 615 nm to that at 665 nm. The IC50 for each compound was derived from fitting the data to the four-parameter logistic equation by Graphpad Prism software. B 8.7 pIC50 2 nM IC50 US-9447106-B2. Substituted pyrazolo[1,5-a]pyrimidines as bruton's tyrosine kinase modulators (2016)
GtoPdb Inhibition of the enzymatic activity of recombinant human BTK in a TR-FRET assay. - 8.7 pIC50 2 nM IC50 US9447106B2. Substituted pyrazolo[1,5-a]pyrimidines as bruton's tyrosine kinase modulators. (2016)
ChEMBL Inhibition of BTK in human Ramos cells assessed as reduction in BTK phosphorylation at Tyr223 residue preincubated for 1 hr followed by pervanadate or Na3VO4 stimulation for 20 mins by HTRF assay B 8.74 pIC50 1.8 nM IC50 J Med Chem (2019) 62: 7923-7940 [PMID:31381333]
ChEMBL Inhibition of BTK in human Ramos cells assessed as reduction in BTK phosphorylation at Tyr223 residue preincubated for 1 hr followed by pervanadate or Na3VO4 stimulation for 20 mins by HTRF assay B 8.74 pIC50 1.8 nM IC50 J Med Chem (2019) 62: 7923-7940 [PMID:31381333]
ChEMBL Inhibition of human BTK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by filter binding method B 9.04 pIC50 0.92 nM IC50 J Med Chem (2019) 62: 7923-7940 [PMID:31381333]
ChEMBL Inhibition of human BTK using poly[Glu:Tyr] (4:1) as substrate preincubated for 60 mins followed by [gamma-33P]-ATP addition and measured after 120 mins by filter binding method B 9.04 pIC50 0.92 nM IC50 J Med Chem (2019) 62: 7923-7940 [PMID:31381333]
ChEMBL Inhibition of N-terminal His-tagged recombinant human BTK (393 to 659 residues) expressed in baculovirus infected Sf9 cells preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured after 1 hr by TR-FRET assay B 9.52 pIC50 0.3 nM IC50 J Med Chem (2019) 62: 7923-7940 [PMID:31381333]
ChEMBL Inhibition of N-terminal His-tagged recombinant human BTK (393 to 659 residues) expressed in baculovirus infected Sf9 cells preincubated for 1 hr followed by Biotin-AVLESEEELYSSARQ-NH2 substrate addition in presence of ATP and measured after 1 hr by TR-FRET assay B 9.52 pIC50 0.3 nM IC50 J Med Chem (2019) 62: 7923-7940 [PMID:31381333]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]