BDBM50000040 ((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine::((S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine::(+)(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine::(-) (2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine::(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine::CHEMBL16192::CP-96,345::CP-96345::i(2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl)-(2-methoxy-benzyl)-amine

SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1

InChI Key InChIKey=FLNYLINBEZROPL-NSOVKSMOSA-N

Data  9 KI  33 IC50  1 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 43 hits for monomerid = 50000040   

TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataKi:  0.400nMAssay Description:Displacement of radioligand [3H]SP from wild type human NK1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(GUINEA PIG)
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataKi:  0.550nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataKi:  0.660nMAssay 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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataKi:  0.660nMAssay 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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataKi:  3.10nMAssay Description:Binding affinity towards Tachykinin receptor 1 expressed in CHO cells using [3H]-[Pro9]-SP as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Rattus norvegicus (rat))
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataKi:  15.8nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [3H]osanetant from wild type human NK3 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(GUINEA PIG)
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.400nMAssay Description:Binding affinity towards cloned neurokinin 1 receptor, based on the displacement of [125I]-labeled substance PMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.450nMAssay 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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.200nMAssay Description:Tested against cloned human NK1 receptor by displacement of 125 I -labeled substance P expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.400nMAssay Description:Inhibitory activity of the compound against Tachykinin receptor 1 in guinea pig brain using [125I]-labeled Boltan-Hunter substance P as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Rattus norvegicus (rat))
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  32nMAssay Description:Inhibitory activity of the compound against Tachykinin receptor 1 in rat brain using [125I]-labeled Boltan-Hunter substance P as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Mus musculus)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  24nMAssay Description:Inhibitory activity of the compound against NK-1 receptors in mouse brain using [125I]-labeled Boltan-Hunter substance P as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.770nMAssay Description:Binding affinity towards Tachykinin receptor 1 in human IM-9 cells using [3H]-substance P as ligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  3.40nMAssay Description:Binding potency of the compound against SP receptor (from ref. 1)More data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  4.20nMAssay Description:Compound was evaluated for the inhibition of binding of [3H]-SP in human IM-9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.5nMAssay Description:Displacement of [125]Substance P Binding from human Neurokinin NK1 receptor in CHO CellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.700nMAssay Description:Compound was tested for the displacement of [ 1251] Substance P from hNK1 receptor in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.5nMAssay Description:Inhibition of [125I]-substance P binding to human neurokinin-1 (hNK-1) receptor in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.5nMAssay Description:Inhibition of [125I]-Substance P binding to human NK1 receptors in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  2nMAssay Description:Inhibitory concentration for displacement of [3H]-Substance P (SP) in human IM-9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.5nMAssay 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
In DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.520nMAssay Description:Compound was tested in vitro for its Tachykinin receptor 1 affinity by the displacement of [125I]-Bolton-Hunter substance p from human IM-9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-K receptor(Homo sapiens (Human))
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50: >1.00E+4nMAssay Description:Binding affinity against human NK2 receptors from HSKR-1 cells using [125I]-Iodohistidyl NKAMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.330nMAssay 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 DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  3.40nMAssay Description:Binding potency of the compound against SP receptor (from ref. 1)More data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  3.80nMAssay Description:Binding potency of the compound against SP receptor in bovine caudate using [3H]- as radioligandMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.660nMAssay Description:Antagonist activity at NK1 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataKd:  5.37nMAssay Description:Competitive inhibition of wild type human NK1 receptor expressed in HEK293 cells assessed as decrease in SP1-induced [3H]IP accumulation after 20 min...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.676nMAssay 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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  16nMAssay Description:Compound was tested for inhibition of NK1 receptor from gerbil midbrainMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(GUINEA PIG)
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.400nMAssay Description:Inhibitory activity of the compound against Tachykinin receptor 1 in guinea pig brain using [125I]-labeled Boltan-Hunter substance P as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  22nMAssay Description:Binding affinity against Gln165Ala mutant type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.5nMAssay Description:Binding affinity against wild type human Tachykinin receptor 1 expressed in CHO cells was measured by its ability to displace [125I]- Tyr-8 substance...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.800nMAssay Description:Inhibition of binding of [125I]-SP to the CHO cell line expressing human Tachykinin receptor 1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(GUINEA PIG)
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50: >1.00E+4nMAssay 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 DepthDetails Article
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  10nMAssay Description:Inhibition of [3H]-SP radioligand binding to NK1 receptor from bovine retinaMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSubstance-P receptor(GUINEA PIG)
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.560nMAssay Description:Antagonism of the guinea pig tachykinin NK1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
TargetNeuromedin-K receptor(GUINEA PIG)
Hoechst Marion Roussel

Curated by PDSP Ki Database
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory activity against Tachykinin receptor 3 in guinea pig cortex [125I]-BH-eledoisin as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-K receptor(HAMSTER)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibitory activity against [125I]-neurokinin binding to Tachykinin receptor 2 in hamster urinary bladderMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50000040(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)
Affinity DataIC50:  0.400nMAssay Description:Displacement of [125I]-labeled SP from human Tachykinin receptor 1 expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed