Compound name
Zanubrutinib
Protein family
Protein Kinase
Target name
BTK
Affinity biochemical (nM)
0.3
Affinity on-target cellular (nM)
1.8
CG-Set
Kinase set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000646a
SMILES
O=C(C=C)N1CCC([C@]2([H])CCNC3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1
InChIKey
RNOAOAWBMHREKO-QFIPXVFZSA-N
NCBI gene ID
695
UniProt ID
Q06187
Synonyms
ATK, XLA, PSCTK1
Mode of action
Covalent inhibitor
Affinity biochemical definition
IC50
Affinity biochemical assay type
33P-ATP and filter-binding assay (Reaction Biology)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.9b00687
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
HTRF-based assay (Cisbio; phosphorylation of BTK on Y223)
Affinity on-target cellular relation
=
Selectivity platform
Kinase panel (Reaction Biology)
Selectivity platform number of targets
342
Selectivity remarks
Screened at 1 µM, 33P-ATP and filter-binding assay, closest target as % inhibition: BRK (99%), others >90%; In vitro potencies of closest 12 targets (33P-ATP and filter-binding assay (Reaction Biology)): IC50(ITK) = 56 nM, IC50(TEC) = 2.0 nM, IC50(JAK3) = 580 nM, IC50(EGFR) = 2.6 nM, IC50(HER2) = 530 nM, IC50(BRK) = 33 nM, IC50(FGR) = 155 nM, IC50(FRK/PTK5) = 379 nM, IC50(LCK) = 187 nM; Cellular selectivity: IC50(EGFR) = 606 nM (337-fold, p-EGFR HTRF assay), IC50(ITK) = 3477 nM (1932-fold, p-PLCg1 assay), IC50(TEC) = 204.7 nM (114-fold, p-TEC MSD assay), other targets not tested;
Selectivity Source Knowledge
https://doi.org/10.1021/acs.jmedchem.9b00687
Selectivity Number of Off-targets
1