BindingDB 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

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]1CCCN[C@H]1c1ccccc1

InChI Key InChIKey=DTQNEFOKTXXQKV-HKUYNNGSSA-N

Data 16 KI 13 IC50 1 Kd

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 30 hits for monomerid = 50000041

Substance-P receptor(GUINEA PIG)
Pfizer

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: 0.170nMAssay Description:Evaluated for the binding affinity towards NK1 receptor in the striatal membranes of guinea pigMore data for this Ligand-Target Pair

PDB MMDB
UniProtKB/SwissProt
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3D Structure (crystal)

Substance-P receptor(GUINEA PIG)
Pfizer

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: 0.170nMAssay Description:Evaluated for the binding affinity towards NK1 receptor in the striatal membranes of guinea pigMore data for this Ligand-Target Pair

PDB MMDB
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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: 0.170nMAssay Description:In vitro inhibitory activity against human NK1 receptor was determinedMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: 0.251nMAssay Description:Binding affinity to Tachykinin receptor 1 stably expressed in chinese hamster ovary (CHO) cellsMore data for this Ligand-Target Pair

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: 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

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: 0.398nMAssay Description:Compound was evaluated for binding affinity towards neurokinin NK1 receptor.More data for this Ligand-Target Pair

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: 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

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: 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

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: 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

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: 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

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: 1.5nMAssay Description:In vitro binding affinity of the compound towards human NK-1 receptor in IM-9 cells using [3H]-SP of substance P antagonistMore data for this Ligand-Target Pair

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3D Structure (crystal)

Substance-K receptor(Homo sapiens (Human))
Smithkline Beecham Pharmaceuticals

Curated by PDSP K_i Database

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: >1.00E+4nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar

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Neuromedin-K receptor(Homo sapiens (Human))
Smithkline Beecham Pharmaceuticals

Curated by PDSP K_i Database

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: >1.00E+4nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
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Substance-K receptor(Homo sapiens (Human))
Smithkline Beecham Pharmaceuticals

Curated by PDSP K_i Database

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: >1.00E+4nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
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Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: >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

PDB MMDB Reactome pathway KEGG
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3D Structure (crystal)

Neuromedin-K receptor(Homo sapiens (Human))
Smithkline Beecham Pharmaceuticals

Curated by PDSP K_i Database

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Ki: >1.00E+4nMMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar

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Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 0.170nMAssay Description:Antagonist activity at NK1 receptorMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 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

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 0.600nMAssay Description:Inhibition of substance P binding to Tachykinin receptor 1 in Chinese hamster ovary cellsMore data for this Ligand-Target Pair

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3D Structure (crystal)

Substance-P receptor(GUINEA PIG)
Pfizer

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

Kd: 0.320nMAssay Description:Evaluated for the binding affinity towards NK1 receptor in the striatal membranes of guinea pigMore data for this Ligand-Target Pair

PDB MMDB
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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 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

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 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

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 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

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3D Structure (crystal)

Substance-P receptor(GUINEA PIG)
Pfizer

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 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

PDB MMDB
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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 1nMAssay Description:Binding affinity of the compound towards human Tachykinin receptor 1 by the displacement of [125I]- Substance P in CHO CellsMore data for this Ligand-Target Pair

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 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

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 0.600nMAssay Description:Displacement of [125I]- Substance P from human Neurokinin 1 (hNK1) receptor expressed in CHO cellsMore data for this Ligand-Target Pair

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 0.630nMAssay Description:Displacement of [3H]substance P from NK1 human receptor expressed in IM9 cellsMore data for this Ligand-Target Pair

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 0.5nMAssay Description:Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cellsMore data for this Ligand-Target Pair

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3D Structure (crystal)

Substance-P receptor(Homo sapiens (Human))
TBA

Curated by ChEMBL

PNG

BDBM50000041((+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-a...)

IC50: 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

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3D Structure (crystal)

Filter my 30 hits

Targets 3▿
- Substance-P receptor 26
- Substance-K receptor 2
- Neuromedin-K receptor 2
Publications 20▿
- J Med Chem 36: 3197-201 (1993) 3
- J Med Chem 35: 4911-3 (1993) 3
- Eur J Pharmacol 450: 191-202 (2002) 2
- J Pharmacol Exp Ther 281: 1303-11 (1997) 2
- Bioorg Med Chem Lett 5: 2671-2676 (1995) 2
- Bioorg Med Chem Lett 11: 705-9 (2001) 1
- J Med Chem 47: 5381-92 (2004) 1
- J Med Chem 38: 934-41 (1995) 1
- J Med Chem 54: 2467-76 (2011) 1
- Bioorg Med Chem Lett 5: 209-212 (1995) 1
- Bioorg Med Chem Lett 17: 6887-90 (2007) 1
- J Med Chem 38: 4985-92 (1995) 1
- J Med Chem 38: 3106-20 (1995) 1
- Bioorg Med Chem Lett 4: 1917-1920 (1994) 1
- J Med Chem 39: 1760-2 (1996) 1
- Bioorg Med Chem Lett 4: 1865-1868 (1994) 1
- Bioorg Med Chem Lett 8: 281-4 (1999) 1
- J Med Chem 41: 3609-23 (1998) 1
- J Med Chem 39: 2907-14 (1996) 1
- Bioorg Med Chem Lett 5: 1345-1350 (1995) 1
Institutions 13▿
- Pfizer 8
- TBA 6
- Smithkline Beecham Pharmaceuticals 2
- Schering-Plough Research Institute 2
- Merck Sharp & Dohme Research Laboratories 1
- Philipps-Universit£T Marburg 1
- Merck Research Laboratories 1
- Takeda Chemical Industries 1
- Merck Sharp And Dohme Research Laboratories 1
- Vrije Universiteit Brussel 1
- Novartis Institute For Medical Sciences 1
- Gsk 1
- Washington University 1
Affinity: 0.17 to 1.0E+4 nM▿
- Ki 16
- IC50 13
- Kd 1
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1