Compound name
Acalabrutinib
Protein family
Protein Kinase
Target name
BTK
Affinity biochemical (nM)
5.1
CG-Set
Kinase set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000638a
SMILES
O=C(NC1=CC=CC=N1)C(C=C2)=CC=C2C3=C(C(N)=NC=C4)N4C([C@@H]5CCCN5C(C#CC)=O)=N3
InChIKey
WDENQIQQYWYTPO-IBGZPJMESA-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
IMAP (immobilized metal ion affinity-based fluorescence polarization) assay
Affinity Biochemical Source Knowledge
https://doi.org/10.1056/NEJMoa1509981
Affinity biochemical relation
=
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
395
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: ERBB2 (2.1%), ERBB4 (4.3%), TEC (6.4%); Inhibits kinases containing conserved cystein residue: IC50(BMX) = 46 nM, IC50(ERBB4) = 16 nM, IC50(TEC) = 93 nM, IC50(TXK) = 368 nM, IC50(ERBB2) = 1000 nM (Z’-LYTE assay), PMID: 26641137;
Selectivity Source Knowledge
https://doi.org/10.1158/1078-0432.CCR-16-0463
Selectivity Number of Off-targets
3