BDBM50277571 3-[(4R,5S)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-4-(4-fluorophenyl)octahydro-2H-isoindol-2-yl]-2-methylcyclopent-2-en-1-one::CHEMBL445686

SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=C(C)C(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=QPVQOFFGRFOSLP-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50277571   

TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277571(3-[(4R,5S)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phen...)
Affinity DataIC50: 0.100nMAssay Description:Displacement of [125I]substance P human recombinant NK1 receptor expressed in CHO cells in absence of human serum albuminMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277571(3-[(4R,5S)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phen...)
Affinity DataIC50: 11nMAssay Description:Displacement of [125I]substance P human recombinant NK1 receptor expressed in CHO cells in presence of human serum albuminMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed