BDBM15581 CHEMBL8706::CLG::CLORGILINE::Clorgyline::N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-prop-2-yn-1-amine::US8633208, Clorgyline::US9603833, Clorgyline::[3-(2,4-dichlorophenoxy)propyl](methyl)prop-2-yn-1-ylamine

SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C

InChI Key InChIKey=BTFHLQRNAMSNLC-UHFFFAOYSA-N

Data  19 KI  215 IC50

PDB links: 3 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 234 hits for monomerid = 15581   

TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.5nMpH: 7.4 T: 2°CAssay Description:The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 6.14E+4nMpH: 7.4 T: 2°CAssay Description:The effects of the test compounds on hMAO isoform enzymatic activity were evaluated by measuring their effects on the production of hydrogen peroxide...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 27nMAssay Description:Inhibitory activity of compounds was evaluated by a homogeneous luminescent method, the MAO-Glo Assay (Promega), measuring the monoamine oxidase acti...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 1.43E+4nMAssay Description:Inhibitory activity of compounds was evaluated by a homogeneous luminescent method, the MAO-Glo Assay (Promega), measuring the monoamine oxidase acti...More data for this Ligand-Target Pair
In DepthDetails
US Patent

TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.5nMpH: 7.4Assay Description:The assay was performed in a polystyrene 96-well plate having flat bottom containing 200 μL of the total reaction mixture. For each assay, mixtu...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 6.14E+4nMpH: 7.4Assay Description:The assay was performed in a polystyrene 96-well plate having flat bottom containing 200 μL of the total reaction mixture. For each assay, mixtu...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 8.85E+3nMpH: 7.4Assay Description:Recombinant human MAO-A and MAO-B (5 mg/mL) were purchased from Sigma-Aldrich, pre-aliquoted and stored at -80 °C. Solutions of test compounds we...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 7.90nMpH: 7.4Assay Description:Recombinant human MAO-A and MAO-B (5 mg/mL) were purchased from Sigma-Aldrich, pre-aliquoted and stored at -80 °C. Solutions of test compounds we...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 6.17E+4nMAssay Description:Inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 cellsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 6.14E+4nMAssay Description:Inhibition of human recombinant MAO-B expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of human recombinant MAO-A expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Rat)
Okayama University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 30nMAssay Description:Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mi...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Rat)
Okayama University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 8.00E+3nMAssay Description:Inhibition of MAO-B in rat liver homogenate using [14C]-phenylethylamine as substrate preincubated for 30 mins followed by substrate addition measure...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 2.76E+3nMAssay Description:Inhibition of human recombinant MAO-A using p-tyramine as substrate assessed as production of H2O2 incubated for 15 mins prior to substrate addition ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Rat)
Okayama University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of MAO-B in rat whole brain homogenate in presence of clorgylineMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 6.58E+4nMAssay Description:Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 15 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.70nMAssay Description:Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Bovine)
Alexandria University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of bovine brain MAO-A preincubated for 60 mins before substrate addition by fluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Bovine)
Alexandria University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 9.40E+5nMAssay Description:Inhibition of bovine brain MAO-B preincubated for 60 mins before substrate addition by fluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] B(Bovine)
Alexandria University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 9.40E+6nMAssay Description:Inhibition of bovine brain mitochondria MAO-B by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Bovine)
Alexandria University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 3.10nMAssay Description:Inhibition of bovine brain mitochondria MAO-A by spectrofluorimetryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Bovine)
Alexandria University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 9.80E+4nMAssay Description:Inhibition of MAO-B in bovine brain mitochondria using benzylamine as substrateMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Rat)
Okayama University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of MAO-A in rat liver mitochondria using serotonin as substrate preincubated with enzyme for 60 mins prior to substrate additionMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.90nMAssay Description:Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 1.10E+4nMAssay Description:Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] B(Bovine)
Alexandria University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 9.80E+4nMAssay Description:Inhibition of bovine brain mitochondria MAO-B using benzylamine substrate after 60 mins by fluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Bovine)
Alexandria University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of bovine brain mitochondria MAO-A using serotonin substrate after 60 mins by fluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.10nMAssay Description:Inhibition of human recombinant MAO-A using p-tyramine as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by fluor...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 5.43E+4nMAssay Description:Inhibition of human recombinant MAOBMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 3nMAssay Description:Inhibition of human recombinant MAOAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 8nMAssay Description:Inhibition of recombinant human MAOA using p-tyramine as substrate after 30 mins by Amplex red based spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 6.14E+4nMAssay Description:Inhibition of human recombinant MAOBMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.46E+3nMAssay Description:Inhibition of human recombinant MAOAMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 2.72E+3nMAssay Description:Inhibition of recombinant human MAOA using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additio...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 6.00E+4nMAssay Description:Inhibition of recombinant human MAOB using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate additio...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Bovine)
Alexandria University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 3.70nMAssay Description:Inhibition of MAO-A in bovine brain mitochondria using serotonin as substrate preincubated for 30 mins measured after 30 mins by spectrofluorimetric ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.46nMAssay Description:Inhibition of human recombinant MAOA by fluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 6.14E+4nMAssay Description:Inhibition of human recombinant MAOB by fluorimetric methodMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] B(Rat)
Okayama University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.01E+5nMAssay Description:Inhibition of MAOB in rat liver homogenates preincubated for 60 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Rat)
Okayama University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 2.05E+3nMAssay Description:Inhibition of MAOA in rat liver homogenates preincubated for 60 minsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Rat)
Okayama University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 2.05E+3nMAssay Description:Inhibition of MAO-A in rat liver homogenate after 60 mins by residual activity plotMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Rat)
Okayama University

Curated by ChEMBL
LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.01E+5nMAssay Description:Inhibition of MAO-B in rat liver homogenate after 60 mins by residual activity plotMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 189nMAssay Description:Inhibition of recombinant human microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 produc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 6.14E+4nMAssay Description:Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate after 15 mins by Amplex Red-based flu...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] B(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 6.14E+4nMAssay Description:Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate assessed as reduc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 4.5nMAssay Description:Inhibition of human recombinant microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate assessed as reduc...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetAmine oxidase [flavin-containing] A(Human)
Sapienza University of Rome

LigandPNGBDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of human recombinant MAO-A using kynuramine as substrate after 30 mins by fluorescence spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
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