Compound name
ML-209
Protein family
Nuclear Receptors
Target name
NR1F3
Affinity on-target cellular (nM)
199
CG-Set
Nuclear Receptor set
Recommended Concentration
1 µM
Compound EUbOPEN ID
EUB0001161a
SMILES
COC1=CC(OC)=C(C(O)=C1)C(C2=CC=C3OCOC3=C2)CC(N4C[C@@H](C[C@@H](C4)C)C)=O
InChIKey
YEKVAIMYYCZDLI-MCPYQZEQSA-N
Mode of action
Inverse Agonist
Affinity on-target cellular definition
IC50
Affinity on-target cellular assay type
Gal4 hybrid reporter gene assay (HEK293T cells were cotransfected with pFR-Luc reporter, pRL-SV40 control reporter and pFA-CMV-hROR?- or hROR?-LBD expression plasmid)
Affinity on-target cellular relation
0
Selectivity platform
Nuclear receptor panel, bromodomain and kinase panel
Selectivity platform number of targets
20
Selectivity remarks
Screened at 1 µM and 10 µM against NR1F1, 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): fold-activation = 0.84 (NR1F1) and 0.43 (NR2C1) at 10 µM; 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) = 4.29; all other bromodomains and kinases ?Tm < 2 K
Selectivity Number of Off-targets
3