Compound name
BAY-985
Protein family
Protein Kinase
Target name
IKBKE
Affinity biochemical (nM)
2
Affinity on-target cellular (nM)
1725
CG-Set
Kinase set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000305b
SMILES
C[C@H](c1ccnc(Nc2nc3ccc(-c4cc(N(C)C)ncn4)cc3[nH]2)c1)N1CCN(C(=O)CC(F)(F)F)CC1
InChIKey
HZRJHVDNTDBTOZ-QGZVFWFLSA-N
NCBI gene ID
9641
UniProt ID
Q14164
Synonyms
IKKE, IKK-i, KIAA0151
Mode of action
Inhibitor
Negative control
BAY-440
Affinity biochemical definition
IC50
Affinity biochemical assay type
TR-FRET-based kinase activity inhibition assay (1 µM ATP)
Affinity Biochemical Source Knowledge
https://doi.org/10.1021/acs.jmedchem.9b01460
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
NanoBRET assay (HEK293T cells)
Affinity on-target cellular relation
=
Selectivity platform
Kinome Scan (DiscoverX)
Selectivity platform number of targets
468
Selectivity remarks
Screened at 100 nM, closest targets as % of contr.: MAP2K5 (8.5%), MAP3K19 (10%), SYK (31%), FLT3(D835V) (32%), STK17A (40%), TAOK3 (41%), PIK3CA(Q546K) (45%); In vitro follow-up of closest targets: IC50(FLT3) = 123 nM, IC50(MAP2K5) = 847 nM (Bayer in-house data), IC50(FLT3) = 123 nM, IC50(RPS6KA6) = 276 nM, IC50(DRAK1) = 311 nM, IC50(ULK1) = 7930 nM (PMID: 31859507); Kd(STK17A) = 74 nM, Kd(MAP3K19) = 9.6 nM (DiscoverX), IC50(STK17A) = 310 nM (Eurofins kinase panel); Cellular selectivity (NanoBRET assay, HEK293T cells): IC50(MAP3K19) >20 µM, IC50(STK17A) >20 µM, IC50(MAP2K5) >20 µM, IC50(FLT3) >20 µM; Screened against 45 GPCR targets (PDSP screen), closest targets: Ki(TMEM97) = 1155.57 nM , Ki(HTR2B) = 1305.2 nM;
Selectivity Source Knowledge
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BAY-985
Selectivity Number of Off-targets
2