Compound name
Isoliquiritigenin
Protein family
Nuclear Receptors
Target name
NR3A2
Affinity biochemical (nM)
269
CG-Set
Nuclear Receptor set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0002153a
SMILES
C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O
InChIKey
DXDRHHKMWQZJHT-UHFFFAOYSA-N
Mode of action
Agonist
Affinity biochemical definition
IC50
Affinity biochemical assay type
Competitive binding assay
Affinity Biochemical Source Knowledge
https://doi.org/10.1055/s-2007-993760
Affinity biochemical 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: ?Tm(ABL1) = 6.60 K and ?Tm(GSK3B) = 2.87 K, all other bromodomains and kinases ?Tm < 2 K; IC50 = 1870 nM (NR3A1, binding assay), 2830 nM (17?-HSD1), 360 nM (17?-HSD2), 1540 nM (NLRP3) and 4880 nM (MCP) reported in literature
Selectivity Source Knowledge
https://doi.org/10.1055/s-2007-993760
https://doi.org/10.1021/acs.jnatprod.6b00950
https://doi.org/10.1016/j.bmc.2018.02.013
Selectivity Number of Off-targets
7