Compound name
BIIB068
Protein family
Protein Kinase
Target name
BTK
Affinity biochemical (nM)
0.3
CG-Set
Kinase set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0001868a
SMILES
Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1
InChIKey
BMWMKGNVAMXXCH-UHFFFAOYSA-N
NCBI gene ID
695
UniProt ID
Q06187
Synonyms
ATK, XLA, PSCTK1
Mode of action
inhibitor
Affinity biochemical definition
Kd
Affinity biochemical assay type
Competition-binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/32696648/
Affinity biochemical relation
=
Selectivity platform
KINOMEscan (DiscoverX)
Selectivity platform number of targets
395
Selectivity remarks
Screened at 1 µM, closest targets as % of contr.: MAP3K19 (9%), AAK1 (22%), ABL1(21%), BMP2K (18%), BTK (2.9%), CDKL2 (15%), JAK1 (29%), MST4 (42%), NLK(46%), PIP5K1A (28%), RIOK1 (17%), RIOK3 (19%), RPS6KA5 (42%), SRC (31%), STK16 (23%), TEC (46%), TIE1 (46%), TYK2 (47%); In-vitro potency of closest targets (Competition-binding assay, DiscoverX): Kd(AAK1) = 430 nM, Kd(BMP2K) = 1100 nM, Kd(BTK) = 0.3 nM, Kd(CDKL2) = 420 nM, Kd(JAK2) = 460 nM, Kd(PIP5K1A) >10000 nM, Kd(RIOK1) = 1200 nM, Kd(RIOK2) = 2400 nM, Kd(CDK7) = 880 nM, Kd(MAP3K19) = 130 nM, https://pubmed.ncbi.nlm.nih.gov/32696648/; Screened at 10 µM against 68 non-kinase targets, in-vitro potency of closest targets: IC50(A3) = 4.2 µM, IC50(H2) = 26.5 µM, https://pubmed.ncbi.nlm.nih.gov/32696648/;
Selectivity Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/32696648/