BDBM50327384 (1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1-(4-fluorophenyl)-7-hydroxy-7-methyloctahydrocyclopenta[a]pyrrolizin-5(5aH)-one::CHEMBL1257706

SMILES C[C@@H](O[C@H]1CN2[C@@H]([C@@H]3C[C@](C)(O)C[C@@H]3C2=O)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=SJBVKVDGVANGJA-DOACRVLCSA-N

Data  10 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50327384   

TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50327384((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)
Affinity DataIC50:  8.40E+3nMAssay Description:Inhibition of human PXR inductionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed