Compound name
AHPN
Protein family
Nuclear Receptors
Target name
NR1B3
Affinity on-target cellular (nM)
29
CG-Set
Nuclear Receptor set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0000568a
SMILES
C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC6=C(C=C5)C=C(C=C6)C(=O)O)O
InChIKey
LDGIHZJOIQSHPB-UHFFFAOYSA-N
Mode of action
Agonist
Affinity on-target cellular definition
EC50
Affinity on-target cellular assay type
Reporter gene assay (HeLa-HG5LN cells containing a Gal4 luciferase reporter were cotransfected with expression plasmids contraining the Gal4-DBD fused to the LBD of RAR? or RAR?)
Affinity on-target cellular source knowledge
https://doi.org/10.1016/j.bmcl.2018.04.036
Affinity on-target cellular relation
0
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel, literature
Selectivity platform number of targets
20
Selectivity remarks
Screened at 1 µM against NR2A1, NR2B1, NR2C1, NR2E1, NR4A1, NR5A1 and VP16 in a Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV containing the Gal4-DBD fused with human NR-LBD of interest or pECE-SV40-Gal4-VP16): significant activation detected for NR2C1 fold-activation = 2.20 and NR2E1 fold-activation = 1.74; Screened at 20 µM in a bromodomain and kinase panel against ABL1, AURKA, BRD4, BRPF1, CDK2, CSNK1D, FGFR3, GSK3B, MAPK1, TRIM24 in DSF assays: clean selectivity profile with no significant binding (?Tm < 2 K)
Selectivity Number of Off-targets
2