EUB0001787a_ABL1

Chemical structure of compound EUB0001787a
Compound name
Asciminib
Protein family
Protein Kinase
Target name
ABL1
Affinity biochemical (nM)
0.5
CG-Set
Kinase set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0001787a
SMILES
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cc[nH]n2)c1
InChIKey
VOVZXURTCKPRDQ-CQSZACIVSA-N
NCBI gene ID
25
UniProt ID
P00519
Synonyms
JTK7, c-ABL, p150
Mode of action
Allosteric Inhibitor
Affinity biochemical definition
IC50
Affinity biochemical assay type
Biochemical transphosphorylation caliper assay (ABL1(64-615))
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/30137981/
Affinity biochemical relation
=
Selectivity platform
Kinase panel (DSF assay, SGC Frankfurt)
Selectivity platform number of targets
100
Selectivity remarks
Screened at 20 µM, closest target: dTm(STK17B) = 2.5 K, clean profile;
Screened against 67 kinases, enzymatic assays: In-vitro potency, all targets IC50 >10 µM, https://www.nature.com/articles/nature21702; Screened against 61 non-kinase targets in enzymatic assays, in-vitro potency of closest targets: IC50(5HT2B, antagonism) = 5.9 µM, others IC50 >10 µM, https://www.nature.com/articles/nature21702/tables/1;
Selectivity Source Knowledge
https://www.nature.com/articles/nature21702
Selectivity Number of Off-targets
0