Compound name
BMS 509744
Protein family
Protein Kinase
Target name
ITK
Affinity biochemical (nM)
19
CG-Set
Kinase set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000651a
SMILES
COC1=CC(C)=C(SC3=CN=C(NC(C4=CC=C(CNC(C)C(C)(C)C)C=C4)=O)S3)C=C1C(N2CCN(C(C)=O)CC2)=O
InChIKey
ZHXNIYGJAOPMSO-UHFFFAOYSA-N
NCBI gene ID
3702
UniProt ID
Q08881
Synonyms
EMT, PSCTK2, LYK
Mode of action
inhibitor
Affinity biochemical definition
IC50
Affinity biochemical assay type
Enzymatic radiometric assay
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/15323564/
Affinity biochemical relation
=
Selectivity platform
Kinase Tm panel, in-house SGC Frankfurt
Selectivity platform number of targets
100
Selectivity remarks
Tm panel screened at 20 µM, closest targets (dTm >5 K): dTm (CAMKK2) = 7.2 K, dTm(CLK1) = 6.4 K, dTm(EPHA2) = 6.2 K, dTm(NEK2) = 5.1 K, dTm(SRPK1) = 5.1 K, dTm(PHKG2) = 5.5 K, dTm(STK10) = 5.8 K, dTm(STK6) = 10.1 K, dTm(STK4) = 5.2 K, dTm(ULK3) = 5.8 K; Screened against 19 kinases (Radiometric inhibition assays): no target within 30-fold (PMID: 15323564)
Selectivity Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/15323564/