BDBM50284876 (S)-1-[(3aS,7aS)-4-Hydroxy-4-(2-methoxy-phenyl)-7,7-diphenyl-octahydro-isoindol-2-yl]-2-(2-methoxy-phenyl)-propan-1-one::1-[4-Hydroxy-4-(2-methoxy-phenyl)-7,7-diphenyl-octahydro-isoindol-2-yl]-2-(2-methoxy-phenyl)-propan-1-one::CHEMBL38824::RPR-100893

SMILES COc1ccccc1[C@H](C)C(=O)N1C[C@@H]2[C@H](C1)C(CC[C@@]2(O)c1ccccc1OC)(c1ccccc1)c1ccccc1

InChI Key InChIKey=CCIWVEMVBWEMCY-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 = 50284876   

TargetSubstance-P receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50284876((S)-1-[(3aS,7aS)-4-Hydroxy-4-(2-methoxy-phenyl)-7,...)
Affinity DataIC50: 13nMAssay Description:Compound was tested for its binding affinity to NK1 receptor in [3H]SP binding assay on human IM9 lymphoblasts cultured cell line.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article

TargetSubstance-P receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50284876((S)-1-[(3aS,7aS)-4-Hydroxy-4-(2-methoxy-phenyl)-7,...)
Affinity DataIC50: 1.40E+3nMAssay Description:Compound was tested for its binding affinity to NK1 receptor in [3H]SP binding assay on rat brain membranes.More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article

TargetSubstance-P receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50284876((S)-1-[(3aS,7aS)-4-Hydroxy-4-(2-methoxy-phenyl)-7,...)
Affinity DataIC50: 1.30E+4nMAssay Description:Compound was tested for its affinity towards human Tachykinin receptor 1 in [3H]-substance P(SP) binding assay on human IM9 lymphoblast cultured cell...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/25/2012
Entry Details Article