Compound name
Simvastatin
Protein family
Nuclear Receptors
Target name
NR4A1
Affinity biochemical (nM)
1300
Affinity on-target cellular (nM)
1800
CG-Set
Nuclear Receptor set
Recommended Concentration
10 µM
Compound EUbOPEN ID
EUB0003340a
SMILES
O=C(C(C)(C)CC)O[C@@H]1[C@H]2C(C=C[C@H](C)[C@@H]2CC[C@@H]3C[C@@H](O)CC(O3)=O)=C[C@H](C)C1
InChIKey
RYMZZMVNJRMUDD-HGQWONQESA-N
NCBI gene ID
3164
UniProt ID
P22736
Synonyms
TR3, N10, NAK-1, NGFIB, NUR77
Mode of action
Agonist
Affinity biochemical definition
Kd
Affinity biochemical assay type
ITC (NR4A2)
Affinity on-target cellular definition
EC50
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-hNurr1-LBD expression plasmid)
Affinity on-target cellular source knowledge
https://doi.org/10.1002/advs.202104640
Affinity on-target cellular relation
0
Selectivity remarks
Screened at 10 µM against NR1A1, NR1B1, NR1C3, NR1F3, NR1H3, NR1H4, NR1I3, NR2A1, NR2B1, 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)
Selectivity Number of Off-targets
2