BDBM50281388 CHEMBL4173258

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

InChI Key InChIKey=NQDGCGNKNJWZHP-UHFFFAOYSA-N

Data  7 KI  18 IC50

  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 28 hits for monomerid = 50281388   

TargetHistamine H3 receptor(Human)
Csir-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Csir-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
6/27/2020
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Csir-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataKi:  11nMAssay Description:Inhibition of human histamine H3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Csir-Central Drug Research Institute

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataKi:  11nMAssay Description:Binding affinity to human H3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetVesicular acetylcholine transporter(Rat)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
6/27/2020
Entry Details Article
PubMed
TargetSigma non-opioid intracellular receptor 1(Human)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
6/27/2020
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
6/27/2020
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataIC50: 78nMAssay Description:Inhibition of human MAOBMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataIC50: 78nMAssay Description:Inhibition of human MAOBMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataIC50: 145nMAssay Description:Inhibition of human MAOAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataIC50: 145nMAssay Description:Inhibition of human MAOAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
6/27/2020
Entry Details Article
PubMed
TargetSigma intracellular receptor 2(Rat)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
6/27/2020
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataIC50: 530nMAssay Description:Inhibition of human AChEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataIC50: 530nMAssay Description:Inhibition of human AChEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetAcetylcholinesterase(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
6/27/2020
Entry Details Article
PubMed
TargetCholinesterase(Human)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
6/27/2020
Entry Details Article
PubMed
TargetCholinesterase(Human)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataIC50: 1.69E+3nMAssay Description:Inhibition of human BuChEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetCholinesterase(Human)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataIC50: 1.69E+3nMAssay Description:Inhibition of human plasma butyrylcholinesterase by Ellman's methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetCholinesterase(Human)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataIC50: 1.69E+3nMAssay Description:Inhibition of human BChEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/19/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Iqog, Csic

Curated by ChEMBL
LigandPNGBDBM50281388(CHEMBL4173258)
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 Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetHistone deacetylase 6(Human)TBA
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of N-terminal GST tagged full length human recombinant HDAC6 (1 to 1215 residues) extracted from Sf9 cells using Z-Lys(Ac)-AMC as substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
TargetHistone deacetylase 1(Human)TBA
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of C-terminal 6His/FLAG tagged full length human recombinant HDAC1 (1 to 482 residues) extracted from Sf9 cells using Z-Lys(Ac)-AMC as sub...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed
LigandPNGBDBM50281388(CHEMBL4173258)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GDT tagged human NCOR2 (395 to 489 residues) extracted fro...More data for this Ligand-Target Pair
In Depth
Date in BDB:
TBA
Entry Details
PubMed