Compound name
Elimusertib
Protein family
Protein Kinase
Target name
MTOR
Affinity biochemical (nM)
24
Affinity on-target cellular (nM)
135
CG-Set
Kinase set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0002916a
SMILES
CN1N=CC=C1C2=C(C=CN=C3C4=CC=NN4)C3=NC(N5[C@H](C)COCC5)=C2
InChIKey
YBXRSCXGRPSTMW-CYBMUJFWSA-N
NCBI gene ID
2475
UniProt ID
P42345
Synonyms
RAFT1, RAPT1, FLJ44809
Mode of action
Inhibitor
Affinity biochemical definition
Kd
Affinity biochemical assay type
Competition binding assay (DiscoverX)
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/32502336/
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
AlphaScreen assay (mTOR endogenous kinase activity in unstimulated HeLa S3 cells using pP70S6K(Thr389) as substrate)
Affinity on-target cellular source knowledge
https://pubmed.ncbi.nlm.nih.gov/38299539/
Affinity on-target cellular relation
=
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 1 µM, closest targets as % of control: MTOR (2.2%), DYRK1B (11%), VSP34 (17%), full screening data are available as supporting information, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(DYRK1B) = 25000 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(GAK) = 580 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(GSK3B) >30000 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(RIOK2) = 660 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(VSP34) = 3200 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (enzymatic assay): IC50(DNAPK) = 332 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (TR-FRET assay): IC50(ATM) = 1420 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (enzymatic assay): IC50(PIK3CB) = 3270 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(DYRK1B) = 25000 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(GAK) = 580 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(GSK3B) >30000 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(RIOK2) = 660 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (Competition binding assay, DiscoverX): Kd(VSP34) = 3200 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (enzymatic assay): IC50(DNAPK) = 332 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (TR-FRET assay): IC50(ATM) = 1420 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
In-vitro potency (enzymatic assay): IC50(PIK3CB) = 3270 nM, https://pubmed.ncbi.nlm.nih.gov/32502336/;
Selectivity Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/32502336/
Selectivity Number of Off-targets
3