BDBM414346 N-((3R,3aS,9bS)-9b-((4-fluorophenyl)sulfonyl)-7-(perfluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl)-2-hydroxy-2-(4-hydroxytetrahydro-2H-pyran-4-yl)acetamide (mixture of diastereomers)::US10435369, Example 233

SMILES O=C(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(F)cc3)c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C(O)C1(O)CCOCC1

InChI Key InChIKey=ULPLXWMBYSTYPV-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 414346   

TargetNuclear receptor ROR-gamma(Human)
Bristol Myers Squibb

US Patent
LigandChemical structure of BindingDB Monomer ID 414346BDBM414346(N-((3R,3aS,9bS)-9b-((4-fluorophenyl)sulfonyl)-7-(p...)
Affinity DataIC50: 2nMAssay Description:Inverse agonist activity of potential ligands to RORγ was measured by inhibition of luminescence in a Gal4-luciferase reporter assay in Jurkat c...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details
US Patent