Compound name
Vactosertib
Protein family
Protein Kinase
Target name
TGFBR1
Affinity biochemical (nM)
12.9
Affinity on-target cellular (nM)
41
CG-Set
Kinase set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0000041b
SMILES
Cc1cccc(-c2[nH]c(CNc3ccccc3F)nc2-c2ccc3ncnn3c2)n1
InChIKey
FJCDSQATIJKQKA-UHFFFAOYSA-N
NCBI gene ID
7046
UniProt ID
P36897
Synonyms
ALK-5, ACVRLK4, ALK5, TBRI, TBR-i
Mode of action
Inhibitor
Affinity biochemical definition
IC50
Affinity biochemical assay type
Radiometric protein kinase assay (33PanQinase Activity Assay)
Affinity Biochemical Source Knowledge
https://aacrjournals.org/mct/article/13/7/1704/91906/EW-7197-a-Novel-ALK-5-Kinase-Inhibitor-Potently
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Cell-based Luciferase assay (ALK5 inhibition in HaCaT cells permanently transfected with p3TO-luciferase reporter construct)
Affinity on-target cellular source knowledge
https://pubs.acs.org/doi/10.1021/jm500115w
Affinity on-target cellular relation
=
Selectivity platform
Kinase panel (radiometric 33ProQinase Activity Assays, singlicates, ProQinase)
Selectivity platform number of targets
320
Selectivity remarks
Screened at 1 µM, closest targets as % residual activity: RIPK2 (7%), VEGFR2 (11%), MINK1 (21%), VEGFR3 (28%), VEGFR1 (38%), MAP4K4 (41%), PDGFRA(V561D) (43%), PDGFRA (47%), TGFBR2 (47%); In-vitro follow-up of closest targets (radioisotopic protein kinase assay, 33PanQinase activity assay): IC50(RIPK2) = 54 nM, IC50(VEGFR2) = 97 nM (https://pubs.acs.org/doi/10.1021/jm500115w); Selectivity within ALK family (Radioisotopic protein kinase assay, HotSpot assay, Reaction Biology): IC50(ALK1) >10 µM, IC50(ALK2) >10 µM, IC50(ALK3) >10 µM, IC50(ALK4) = 0.013 µM, IC50(ALK5) = 0.011 µM, IC50(ALK6) >10 µM, IC50(ALK7) n.d. (https://pubs.acs.org/doi/10.1021/jm500115w);
Selectivity Source Knowledge
https://aacrjournals.org/mct/article/13/7/1704/91906/EW-7197-a-Novel-ALK-5-Kinase-Inhibitor-Potently