Compound name
MSD-CYP11B2
Protein family
P450
Target name
CYP11B2
Affinity on-target cellular (nM)
2.3
CG-Set
Other targets
Recommended Concentration
100 nM
Compound EUbOPEN ID
EUB0000313b
SMILES
CC(C)(O)c1cncc(-c2nc3ccc(F)cc3n2C2CC2)c1
InChIKey
OAMLIJKKGZLNHE-UHFFFAOYSA-N
NCBI gene ID
1585
UniProt ID
P19099
Synonyms
CYP11BL, CPN2, P-450C18, P450aldo, ALDOS
Mode of action
Inhibitor
Negative control
MSD-CYP11B2 negative control
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
HTRF-based assay (V79 cell lines, CisBio)
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: DYRK1B (44%), DYRK1A (48%); Screened against 45 GPCR targets (PDSP screen) at 10 µM, closest targets: Ki(ADRA2C) = 625.6 nM, Ki(ADRA2B) = 1439.1 nM, Ki(HTR2B) = 1537.5 nM, Ki(ADRB1) = 2370.3 nM; Screened in Eurofins-Panlabs radioligand binding assays against 43 targets at 10 µM, closest targets: IC50(ADRA2B) = 4.7 nM, IC50(HTR2B) = 5.33 nM, IC50(ADRB1) =9.62 nM;
Selectivity Source Knowledge
https://doi.org/10.1021/acsmedchemlett.5b00054
https://www.sgc-ffm.uni-frankfurt.de/#!specificprobeoverview/MSD-CYP11B2
https://pubs.acs.org/doi/10.1021/acsmedchemlett.5b00054
Selectivity Number of Off-targets
0