Compound name
Bisphenol A
Protein family
Nuclear Receptors
Target name
NR3B3
Affinity biochemical (nM)
13.1
CG-Set
Nuclear Receptor set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0001892a
SMILES
CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
InChIKey
IISBACLAFKSPIT-UHFFFAOYSA-N
Mode of action
Inverse Agonist
Affinity biochemical definition
IC50
Affinity biochemical assay type
Radiolabled binding assay
Affinity Biochemical Source Knowledge
https://doi.org/10.1016/j.bbrc.2008.06.050
Affinity biochemical relation
0
Affinity on-target cellular relation
0
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel, literature
Selectivity platform number of targets
23
Selectivity remarks
Screened at 1 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1I1, NR1I2, NR1I3, NR2A1, NR2B1, NR4A1, NR5A2 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): clean selectivty profile with no significant agonism/antagonism detected; 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); IC50 = 904 nM (NR3A1, binding assay), 870 nM (NR3A2, binding assay) and 5900 nM (NR3C4) reported in literature
Selectivity Source Knowledge
https://doi.org/10.1016/j.bmc.2019.115274
https://doi.org/10.1016/j.bmcl.2013.05.067
Selectivity Number of Off-targets
3