BDBM50000041 (+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine::(+)-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine::(+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine::(-) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine::(-)-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine::(2-Methoxy-benzyl)-((1R,4S)-2-phenyl-piperidin-4-yl)-amine::(2-Methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine::(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine::(2S,3S)-3-(2-Methoxy-benzyloxy)-2-phenyl-piperidine::(2S,3S)-N-(2-methoxybenzyl)-2-phenylpiperidin-3-amine::CHEMBL2114310::CHEMBL441225::CP 99994::CP-99994::Tritiated-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine

SMILES COc1ccccc1CN[C@H]2CCCN[C@H]2c3ccccc3

InChI Key InChIKey=DTQNEFOKTXXQKV-UHFFFAOYSA-N

Data  16 KI  13 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50000041   

TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 0.5nMAssay Description:Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 0.600nMAssay Description:Inhibition of substance P binding to Tachykinin receptor 1 in Chinese hamster ovary cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 0.490nMAssay Description:Antagonist activity for Tachykinin receptor 1 as displacement of [3H]-Substance P in human IM-9 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 0.170nMAssay Description:Antagonist activity at NK1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/6/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 1nMAssay Description:Binding affinity towards human Tachykinin receptor 1 by the displacement of [125I]- Substance P in CHO CellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article
PDB3D3D Structure (crystal)
TargetSubstance-P receptor(Guinea pig)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKd:  0.320nMAssay Description:Evaluated for the binding affinity against NK1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 0.600nMAssay Description:Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2010
Entry Details Article
PDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 0.5nMAssay Description:Binding affinity towards Neurokinin -1(NK-1) receptor of human by using [125I]- Tyr8 substance P as a radioligand in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/19/2010
Entry Details Article
PDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 0.630nMAssay Description:Displacement of [3H]substance P from NK1 human receptor expressed in IM9 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 0.5nMAssay Description:Displacement of [125 I]-Tyr8 SP from the cloned human Tachykinin receptor 1 expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 0.200nMAssay Description:Inhibition of [125I]-BH-Substance P binding to tachykinin receptor 1 in human IM-9 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 0.5nMAssay Description:Binding affinity against human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance P.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 0.170nMAssay Description:Binding affinity was measured against the Tachykinin receptor 1 in human IM-9 cells using [3H]SP as ligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/20/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Guinea pig)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataIC50: 2.90nMAssay Description:In vitro binding affinity against Tachykinin receptor 1 in guinea pig ileum using organ bath assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi:  0.170nMAssay Description:In vitro inhibitory activity against human NK1 receptor was determinedMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2010
Entry Details Article
PDB3D3D Structure (crystal)
TargetSubstance-P receptor(Guinea pig)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi:  0.170nMAssay Description:Evaluated for the binding affinity towards NK1 receptor in the striatal membranes of guinea pigMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Guinea pig)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi:  0.170nMAssay Description:Evaluated for the binding affinity towards NK1 receptor in the striatal membranes of guinea pigMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/25/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi:  0.251nMAssay Description:Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi:  0.251nMAssay Description:In vitro binding affinity against human NK1 receptor expressed in CHO cells using [3H]-substance P as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2020
Entry Details Article
PDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi:  0.398nMAssay Description:Compound was evaluated for binding affinity towards neurokinin NK1 receptor.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2018
Entry Details
PDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi:  0.398nMAssay Description:Binding affinity was carried out with NK 1 receptors from U-373MG human astrocytoma cell lineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/30/2018
Entry Details
PDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi:  0.480nMAssay Description:In vitro binding affinity for the Tachykinin receptor 1 in human IM-9 cell using [125I]BH-SP of the compound.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi:  0.480nMAssay Description:In vitro binding affinity for the Tachykinin receptor 1 in human IM-9 cell using [125I]BH-SP of the compound.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi:  0.794nMAssay Description:Binding affinity measured by displacement of tritiated radiolabeled substance P from cloned human NK1 receptor expressed in CHO cell membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2010
Entry Details Article
PDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi:  1.5nMAssay Description:In vitro binding affinity towards human NK-1 receptor in IM-9 cells using [3H]SP of substance P antagonistMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2010
Entry Details Article
PDB3D3D Structure (crystal)
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi: >1.00E+4nMAssay Description:In vitro binding affinity for the Tachykinin receptor 1 in human IM-9 cell using [125I]BH-SP of the compound.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetNeuromedin-K receptor(Human)
Schering-Plough Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2012
Entry Details Article
PubMed
TargetSubstance-K receptor(Human)
Schering-Plough Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/9/2012
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Human)
Schering-Plough Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details
PubMed
TargetSubstance-K receptor(Human)
Schering-Plough Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50000041((+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details
PubMed