BDBM50071484 CHEMBL308148::N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide::N-[(S)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2-(3,4-dichloro-phenyl)-butyl]-N-methyl-benzamide::Saredutant

SMILES CN(C[C@@H](CCN1CCC(CC1)(NC(C)=O)c1ccccc1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1

InChI Key InChIKey=PGKXDIMONUAMFR-UHFFFAOYSA-N

Data  6 KI  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 12 hits for monomerid = 50071484   

TargetNeuromedin-K receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50071484(N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2...)
Affinity DataIC50: 208nMAssay Description:NK3 IC50 determined using [125I]bolton Hunter labeled eledoisin at NK3 receptors from guinea pig cerebral cortexMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetSubstance-K receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50071484(N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2...)
Affinity DataIC50: 0.130nMAssay Description:Inhibition of cloned human NK2 (Neurokinin 2) receptor, stably expressed in chinese hamster ovary (CHO) cells was determinedMore 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
LigandPNGBDBM50071484(N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2...)
Affinity DataIC50: 800nMAssay Description:Inhibition of cloned human NK1 (Neurokinin 1) receptor, stably expressed in chinese hamster ovary (CHO) cells was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-K receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50071484(N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2...)
Affinity DataIC50: 0.800nMAssay Description:Binding affinity was determined against human NK2 receptor in CHO cells using [125I]neurokinin A as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetSubstance-K receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50071484(N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2...)
Affinity DataIC50: 0.440nMAssay Description:Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50071484(N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2...)
Affinity DataIC50: 593nMAssay Description:Binding affinity against Neurokinin 1(NK1) receptor from human IM-9 cells using [I]-Bolton Hunter labeled SPMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2010
Entry Details Article

TargetSubstance-K receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50071484(N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2...)
Affinity DataKi:  0.5nMAssay Description:Binding affinity towards Tachykinin receptor 2 in CHO cells using [3H]-neurokinin A as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-K receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50071484(N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of [125I]NKA binding to neurokinin NK2 receptor from rat duodenum membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

TargetSubstance-K receptor(Bovine)
St. John'S University

Curated by ChEMBL
LigandPNGBDBM50071484(N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2...)
Affinity DataKi:  0.5nMAssay Description:Binding affinity against bovine Tachykinin receptor 2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/1/2012
Entry Details Article
PubMed
TargetSubstance-P receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50071484(N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2...)
Affinity DataKi:  0.510nMAssay Description:Tested in vitro to inhibit the binding of [125I]NKA to its receptor in rat duodenum membraneMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

TargetSubstance-K receptor(Golden hamster)
TBA

Curated by ChEMBL
LigandPNGBDBM50071484(N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2...)
Affinity DataKi:  1.20nMAssay Description:The compound was evaluated for the inhibition of [125I]NKA binding to neurokinin NK2 receptor from hamster urinary bladder membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article

TargetSubstance-K receptor(Rat)
TBA

Curated by ChEMBL
LigandPNGBDBM50071484(N-[(R)-4-(4-Acetylamino-4-phenyl-piperidin-1-yl)-2...)
Affinity DataKi:  945nMAssay Description:The compound was evaluated for the inhibition of [125I]NKA binding to Tachykinin receptor 2 from rat duodenum membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2010
Entry Details Article