Compile Data Set for Download or QSAR
Found 24 Enz. Inhib. hit(s) with all data for entry = 50026673
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262566((2S,3S)-3-[(1R)-6-Methoxy-1-methyl-1-trifluorometh...)copy SMILEScopy InChI
Affinity DataKi:  0.200nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262395(CHEMBL478620 | R/S-(2S,3S)-N-((6-methoxy-3-(triflu...)copy SMILEScopy InChI
Affinity DataKi:  20nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50067935((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...)copy SMILEScopy InChI
Affinity DataKi:  20nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262280(CHEMBL513351 | R/S-(2S,3S)-N-(2-methoxy-5-(1,1,1-t...)copy SMILEScopy InChI
Affinity DataKi:  70nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262510(CHEMBL477365 | R/S-(2S,3S)-3-[((6-Methoxy-1-methyl...)copy SMILEScopy InChI
Affinity DataKi:  120nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262567(((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...)copy SMILEScopy InChI
Affinity DataKi:  420nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262279((2S,3S)-N-((6-methoxy-3-methyl-3-(trifluoromethyl)...)copy SMILEScopy InChI
Affinity DataKi:  660nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50224198((2S,3S)-N-(2-methoxy-5-(1,1,1-trifluoro-2-methylpr...)copy SMILEScopy InChI
Affinity DataKi:  840nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262337((2S,3S)-N-(5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2...)copy SMILEScopy InChI
Affinity DataKi:  2.10E+3nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262281((2S,3S)-3-[2-Methoxy-5-(2,2,2-trifluoroethyl)benzy...)copy SMILEScopy InChI
Affinity DataKi:  4.25E+3nMAssay Description:Binding affinity to human CYP2D6 using bufuralol as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262279((2S,3S)-N-((6-methoxy-3-methyl-3-(trifluoromethyl)...)copy SMILEScopy InChI
Affinity DataIC50: 0.160nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50224198((2S,3S)-N-(2-methoxy-5-(1,1,1-trifluoro-2-methylpr...)copy SMILEScopy InChI
Affinity DataIC50: 0.200nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50261732((2S,3S)-N-(((S)-6-methoxy-1-methyl-1-(trifluoromet...)copy SMILEScopy InChI
Affinity DataIC50: 0.340nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262510(CHEMBL477365 | R/S-(2S,3S)-3-[((6-Methoxy-1-methyl...)copy SMILEScopy InChI
Affinity DataIC50: 0.340nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262510(CHEMBL477365 | R/S-(2S,3S)-3-[((6-Methoxy-1-methyl...)copy SMILEScopy InChI
Affinity DataIC50: 0.340nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262280(CHEMBL513351 | R/S-(2S,3S)-N-(2-methoxy-5-(1,1,1-t...)copy SMILEScopy InChI
Affinity DataIC50: 0.400nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50067935((2-Methoxy-5-trifluoromethoxy-benzyl)-((2S,3S)-2-p...)copy SMILEScopy InChI
Affinity DataIC50: 0.400nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262453(CHEMBL479049 | R/S-(2S,3S)-N-((3-methoxy-8-(triflu...)copy SMILEScopy InChI
Affinity DataIC50: 0.5nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262336(CHEMBL468163 | R/S-(2S,3S)-N-(2-methoxy-5-(1,2,2,2...)copy SMILEScopy InChI
Affinity DataIC50: 0.700nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262395(CHEMBL478620 | R/S-(2S,3S)-N-((6-methoxy-3-(triflu...)copy SMILEScopy InChI
Affinity DataIC50: 0.900nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262394(CHEMBL515935 | R/S-(2S,3S)-N-(2-methoxy-5-(1,1,1-t...)copy SMILEScopy InChI
Affinity DataIC50: 0.900nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262281((2S,3S)-3-[2-Methoxy-5-(2,2,2-trifluoroethyl)benzy...)copy SMILEScopy InChI
Affinity DataIC50: 0.900nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262395(CHEMBL478620 | R/S-(2S,3S)-N-((6-methoxy-3-(triflu...)copy SMILEScopy InChI
Affinity DataIC50: 0.900nMAssay Description:Displacement of [3H]spiperone from NK1 receptor in human IM9 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed
TargetSodium channel protein type 2 subunit alpha(Rattus norvegicus)
Pfizer Global Research & Development

Curated by ChEMBL
LigandPNGBDBM50262566((2S,3S)-3-[(1R)-6-Methoxy-1-methyl-1-trifluorometh...)copy SMILEScopy InChI
Affinity DataIC50: 48nMAssay Description:Displacement of [3H]batrachotoxinin from rat sodium channel type 2A subunit expressed in CHO-CNa2A cells by whole cell patch clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0NHNPubMed