null

SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C

InChI Key InChIKey=NQDGCGNKNJWZHP-UHFFFAOYSA-N

  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 25 hits for monomerid = 50281388   

TargetHistamine H3 receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataKi:  11nMAssay Description:Binding affinity to human H3 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5X88PubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataKi:  11nMAssay Description:Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes after 90 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QN699QPubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataKi:  11nMAssay Description:Inhibition of human histamine H3 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2222Z25PubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataKi:  11nMAssay Description:Displacement of [3H]-N-alpha-methylhistamine from human H3R expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87F3NPubMed
TargetVesicular acetylcholine transporter(Rattus norvegicus)
IQOG, CSIC

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataKi:  46nMAssay Description:Displacement of (-)-[3H]vesamicol from rat VAChT expressed in rat PC12 cell membranes after 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QN699QPubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
IQOG, CSIC

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataKi:  65nMAssay Description:Displacement of (+)-[3H]pentazocine from human sigma1 receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation counting meth...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QN699QPubMed
TargetSigma intracellular receptor 2(Rattus norvegicus (Rat))
IQOG, CSIC

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataKi:  326nMAssay Description:Displacement of [3H]DTG from sigma2 receptor in rat liver membranes after 60 mins by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QN699QPubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
CSIR-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 1.85E+3nMAssay Description:Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate by Amplex red reagent/horseradi...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87F3NPubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
CSIR-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 145nMAssay Description:Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins follow...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87F3NPubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
CSIR-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 145nMAssay Description:Inhibition of human MAOAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5X88PubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 78nMAssay Description:Inhibition of human MAOBMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5X88PubMed
TargetCholinesterase(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 1.69E+3nMAssay Description:Inhibition of human BuChEMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5X88PubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 530nMAssay Description:Inhibition of human AChEMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26D5X88PubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 78nMAssay Description:Inhibition of human MAOBMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2222Z25PubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
CSIR-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 145nMAssay Description:Inhibition of human MAOAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2222Z25PubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 530nMAssay Description:Inhibition of human AChEMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2222Z25PubMed
TargetCholinesterase(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 1.69E+3nMAssay Description:Inhibition of human BChEMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2222Z25PubMed
TargetCholinesterase(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 1.69E+3nMAssay Description:Inhibition of human plasma butyrylcholinesterase by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87F3NPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 78nMAssay Description:Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins follow...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87F3NPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 1.94E+3nMAssay Description:Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate by Amplex red reagent/horseradi...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87F3NPubMed
TargetAmine oxidase [flavin-containing] B(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 78nMAssay Description:Inhibition of recombinant human MAO-B using tyramine as substrate ampliflu red dye based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QN699QPubMed
TargetCholinesterase(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 1.69E+3nMAssay Description:Inhibition of human plasma BuChE using acetylthiocholine iodide as substrate by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QN699QPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 530nMAssay Description:Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QN699QPubMed
TargetAcetylcholinesterase(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 530nMAssay Description:Inhibition of human acetylcholinesterase expressed in HEK 293 cells using acetylthiocholine iodide as substrate by Ellman's methodMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2N87F3NPubMed
TargetAmine oxidase [flavin-containing] A(Homo sapiens (Human))
CSIR-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)copy SMILEScopy InChI
Affinity DataIC50: 145nMAssay Description:Inhibition of recombinant human MAO-A using tyramine as substrate ampliflu red dye based fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2QN699QPubMed