Compound name
GS-444217
Protein family
Protein Kinase
Target name
MAP3K5
Affinity biochemical (nM)
2.87
Affinity on-target cellular (nM)
1000
CG-Set
Kinase set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0002924a
SMILES
O=C(C1=NC=CC(N2C=C(C3CC3)N=C2)=C1)NC4=CC=CC(C5=NN=CN5C6CC6)=C4
InChIKey
ZGCMQKWOUIMBEP-UHFFFAOYSA-N
NCBI gene ID
4217
UniProt ID
Q99683
Synonyms
MAPKKK5, ASK1
Mode of action
Inhibitor
Affinity biochemical definition
IC50
Affinity biochemical assay type
TR-FRET assay (using 100 µM ATP)
Affinity Biochemical Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/30024858/
Affinity biochemical relation
=
Affinity on-target cellular definition
EC50
Affinity on-target cellular assay type
Western Blot assay (inhibition of MAP3K5 phosphorylation in HEK293T cells)
Affinity on-target cellular source knowledge
https://pubmed.ncbi.nlm.nih.gov/30024858/
Affinity on-target cellular relation
<
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
442
Selectivity remarks
Screened at 1 µM, S-Score(35) = 0.01, closest targets with >35% of inhibition: RPS6KA6, DYRK1A, https://pubmed.ncbi.nlm.nih.gov/30024858/;
In-vitro potency (competition-binding assay, DiscoverX): Kd(RPS6KA6) = 430 nM, https://pubmed.ncbi.nlm.nih.gov/30024858/;
In-vitro potency (competition-binding assay, DiscoverX): Kd(DYRK1A) = 220 nM, https://pubmed.ncbi.nlm.nih.gov/30024858/;
In-vitro potency (competition-binding assay, DiscoverX): Kd(MAP3K5) = 4.1 nM, https://pubmed.ncbi.nlm.nih.gov/30024858/;
In-vitro potency (competition-binding assay, DiscoverX): Kd(RPS6KA6) = 430 nM, https://pubmed.ncbi.nlm.nih.gov/30024858/;
In-vitro potency (competition-binding assay, DiscoverX): Kd(DYRK1A) = 220 nM, https://pubmed.ncbi.nlm.nih.gov/30024858/;
In-vitro potency (competition-binding assay, DiscoverX): Kd(MAP3K5) = 4.1 nM, https://pubmed.ncbi.nlm.nih.gov/30024858/;
Selectivity Source Knowledge
https://pubmed.ncbi.nlm.nih.gov/30024858/
Selectivity Number of Off-targets
2