Compound name
IRE1α kinase-IN-1
Protein family
Protein Kinase
Target name
ERN1
Affinity biochemical (nM)
77
CG-Set
Kinase set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0002930a
SMILES
CN1CCC(CNC2=CC(Cl)=NN3C2=NC=C3C4=C(F)C=C5C(N=C(NC6=CC=CC=C6)N5)=C4)CC1
InChIKey
BPRAHARGXSNSSO-UHFFFAOYSA-N
NCBI gene ID
2081
UniProt ID
O75460
Synonyms
IRE1, IRE1P
Mode of action
Inhibitor
Affinity biochemical definition
IC50
Affinity biochemical assay type
LanthaScreen Eu Kinase binding FRET assay
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/30779566/
Affinity biochemical relation
=
Selectivity platform
KINOMEscan (Eurofins)
Selectivity platform number of targets
455
Selectivity remarks
Screened at 1 µM, closest targets as % of control: CLK4 (20%), ERN1 (33%), GAK (33%), KIT(V559D/V654A, 27%), CDK17 (2.7%), full screening data are available as supporting information, https://pubmed.ncbi.nlm.nih.gov/30779566/;
In-vitro potency (LanthaScreen Eu Kinase binding FRET assay): IC50(ERN2) = 7682 nM, https://pubmed.ncbi.nlm.nih.gov/30779566/;
In-vitro potency (LanthaScreen Eu Kinase binding FRET assay): IC50(ERN2) = 7682 nM, https://pubmed.ncbi.nlm.nih.gov/30779566/;
Selectivity Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/30779566/
Selectivity Number of Off-targets
1