BDBM50220117 (3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-acetylpiperidine-4-carbonyl)-N-methyl-4-phenylpyrrolidine-3-carboxamide::CHEMBL391963

SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccccc1)C(=O)C1CCN(CC1)C(C)=O

InChI Key InChIKey=QOPIOMWNHRCPAA-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50220117   

TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220117((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 0.420nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220117((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 0.420nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220117((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 4.5nMAssay Description:Displacement of [125I]SP 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:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220117((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220117((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 2.40E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220117((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-1-(1-ac...)
Affinity DataIC50: 2.60E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed