Compound name
Mps1-IN-1
Protein family
Protein Kinase
Target name
TTK
Affinity biochemical (nM)
27
CG-Set
Kinase set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000609a
SMILES
COC1=C(NC2=CC(NC3=CC=CC=C3S(C(C)C)(=O)=O)=C(C=CN4)C4=N2)C=CC(N5CCC(O)CC5)=C1
InChIKey
NMJMRSQTDLRCRQ-UHFFFAOYSA-N
NCBI gene ID
7272
UniProt ID
P33981
Synonyms
MPS1, MPS1L1, CT96, MPH1
Mode of action
Inhibitor
Affinity biochemical definition
Kd
Affinity biochemical assay type
Ambit Competition binding assay
Affinity Biochemical Source Knowledge
https://doi.org/10.1038/nchembio.345
Affinity biochemical relation
=
Selectivity platform
Ambit kinase binding assay panel
Selectivity platform number of targets
352
Selectivity remarks
Screened at 10 µM, closest targets as % of contr.: ALK(8.9%), CLK1(7.3%), ERK2(6%), GAK(5.4%), IGF1R(0.9%), INSR(0.15%), INSRR(2%), JNK1(5.2%), LTK(1.2%), MEK4(6.2%), PRK2(0.1%), PTK2B(0.5%), RIOK3(0.5%); In vitro follow up of closest targets: IC50(ALK) = 21 nM, IC50(CLK1) = 1900 nM, IC50(ERK2) = 2900 nM, IC50(FAK) = 440 nM, IC50(GAK) = 1100 nM, IC50(IGF1R) = 750 nM, IC50(INSR) = 470 nM, IC50(INSRR) = 1200 nM, IC50(LTK) = 29 nM, IC50(PYK2) = 280 nM, IC50(TNK1) = 2600 nM, IC50(TNK2) = 3100 nM;
Selectivity Source Knowledge
https://doi.org/10.1038/nchembio.345
Selectivity Number of Off-targets
13