BDBM50327386 (1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-ethyl-1-(4-fluorophenyl)-7-hydroxyoctahydrocyclopenta[a]pyrrolizin-5(5aH)-one::CHEMBL1256592

SMILES CC[C@]1(O)C[C@@H]2[C@H](C1)C(=O)N1C[C@H](O[C@H](C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)[C@H]([C@H]21)c1ccc(F)cc1

InChI Key InChIKey=MBVUREUDPHNAAP-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50327386   

TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50327386((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)
Affinity DataIC50: 0.160nMAssay Description:Displacement of [125I]substance P from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50327386((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of human PXR inductionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50327386((1S,2R,5aS,7S,8aR,8bS)-2-((R)-1-(3,5-bis(trifluoro...)
Affinity DataIC50: 1.70nMAssay Description:Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/12/2011
Entry Details Article
PubMed