Compound name
BAY 1816032
Protein family
Protein Kinase
Target name
BUB1
Affinity biochemical (nM)
6.5
Affinity on-target cellular (nM)
29
CG-Set
Kinase set
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0001548a
SMILES
COc1cnccc1Nc1nc(-c2nn(Cc3c(F)cc(OCCO)cc3F)c3ccccc23)ncc1OC
InChIKey
QVOGVAVHOLLLAZ-UHFFFAOYSA-N
NCBI gene ID
699
UniProt ID
O43683
Synonyms
hBUB1, BUB1A
Mode of action
Inhibitor
Negative control
BAY-283
Affinity biochemical definition
IC50
Affinity biochemical assay type
TR-FRET kinase assay (at 10 µM ATP)
Affinity Biochemical Source Knowledge
https://aacrjournals.org/clincancerres/article/25/4/1404/10115/Inhibition-of-BUB1-Kinase-by-BAY-1816032
Affinity biochemical relation
=
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Phospho-histone assay (inhibition of histone H2A-Thr120 phosphorylation in nocodazole-arrested HeLa cells after 1 h)
Affinity on-target cellular source knowledge
https://aacrjournals.org/clincancerres/article/25/4/1404/10115/Inhibition-of-BUB1-Kinase-by-BAY-1816032
Affinity on-target cellular relation
=
Selectivity platform
KinomeScan (DiscoverX)
Selectivity platform number of targets
403
Selectivity remarks
Screened at 1 µM, closest targets as % of control: STK10 (0.6%), DYRK1B (6.7%); In-vitro potency of closest targets (Competition-binding assay, DiscoverX): Kd(STK10) = 57 nM, Kd(DYRK1B) >30 µM; Screened at 10 µM against 89 targets (Eurofins-Panlabs Screen), closest targets as % of inhibition: human Adenosine transporter (71%), ADORA2A (67%), GABAA chloride channel TBOB receptor (60%), PTGS1 (54%), sodium channel site 2 (53%), PDE4 (52%); In-vitro potency of closest target: IC50(human Adenosin transporter) = 370 nM (https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/BAY%201816032);
Selectivity Source Knowledge
https://aacrjournals.org/clincancerres/article/25/4/1404/10115/Inhibition-of-BUB1-Kinase-by-BAY-1816032