BDBM510631 US11078186, Example 85

SMILES CC(=O)N1CCC(CC1)C(=O)N1C[C@H](c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)[C@@](C)(C1)c1ccccc1

InChI Key InChIKey=YXYVNJXYQMACDG-UHFFFAOYSA-N

Data  1 IC50  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 510631   

TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM510631(US11078186, Example 85)
Affinity DataEC50:  1.25E+3nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed
TargetNuclear receptor ROR-gamma [262-507](Human)
Bristol-Myers Squibb

US Patent
LigandPNGBDBM510631(US11078186, Example 85)
Affinity DataIC50: 2.58E+3nMAssay Description:The binding of potential ligands to RORγ is measured by competition with [3H]25-hydroxycholesterol (Perkin Elmer NET674250UC) using a scintillat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/16/2022
Entry Details
US Patent

TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM510631(US11078186, Example 85)
Affinity DataEC50:  4.86E+3nMAssay Description:Inverse agonist activity at RORgammat (unknown origin) expressed in Jurkat cells by reporter assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/28/2022
Entry Details Article
PubMed