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BDBM50172756 Benzyl-methyl-prop-2-ynyl-amine::CHEMBL673::Eutonyl::Eutron::N-benzyl-N-methylprop-2-yn-1-amine::PARGYLINE

SMILES: CN(CC#C)Cc1ccccc1

InChI Key: InChIKey=DPWPWRLQFGFJFI-UHFFFAOYSA-N

Data: 7 KI  19 IC50  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 27 hits for monomerid = 50172756   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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20n/an/an/an/an/an/an/an/a



Dart NeuroScience, LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 min...


Bioorg Med Chem 23: 770-8 (2015)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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50n/an/an/an/an/an/an/an/a



Dart NeuroScience, LLC

Curated by ChEMBL


Assay Description
Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins b...


Bioorg Med Chem 23: 770-8 (2015)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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1.80E+3n/an/an/an/an/an/an/an/a



Kadir Has University

Curated by ChEMBL


Assay Description
Inhibition constant against human recombinant Monoamine oxidase-B


Bioorg Med Chem Lett 15: 4438-46 (2005)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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3.36E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate after 60 mins by Lineweaver-Burk plot


Bioorg Med Chem 17: 675-89 (2009)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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8.50E+3n/an/an/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate after 60 mins by Lineweaver-Burk plot


Bioorg Med Chem 17: 675-89 (2009)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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1.40E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)

More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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>7.00E+4n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 3.85E+3n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOB in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 195n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate preincubated for 15 min...


Bioorg Med Chem 25: 633-645 (2017)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 3.90E+5n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of MAO-A in rat liver homogenate after 60 mins by residual activity plot


Bioorg Med Chem 17: 675-89 (2009)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 3.85E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of MAO-B in rat liver homogenate after 60 mins by residual activity plot


Bioorg Med Chem 17: 675-89 (2009)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase, cytosolic 1


(Rattus norvegicus)
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 3.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat cytosolic aldehyde dehydrogenase


J Nat Prod 60: 1180-1182 (1997)

More data for this
Ligand-Target Pair
Aldehyde dehydrogenase


(Rattus norvegicus)
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat mitochondrial aldehyde dehydrogenase


J Nat Prod 60: 1180-1182 (1997)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



GVK Biosciences Pvt. Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAOB


Eur J Med Chem 44: 3584-90 (2009)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 3.90E+5n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOA after 60 mins pre-incubation


Bioorg Med Chem 15: 5775-86 (2007)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 2.85E+3n/an/an/an/an/an/a



Hacettepe University

Curated by ChEMBL


Assay Description
Inhibition of rat liver MAOB after 60 mins pre-incubation


Bioorg Med Chem 15: 5775-86 (2007)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 188n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using p-benzylamine substrate preincubated for 15 mins before substrate addition measured after 20 mins by fluo...


Eur J Med Chem 62: 745-53 (2013)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 1.30E+4n/an/an/an/an/an/a



North-West University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using kynuramine as substrate after 20 mins


Bioorg Med Chem Lett 26: 4599-4605 (2016)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 3.37E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant microsomal MAO-A expressed in baculovirus-infected insect cells using p-tyramine as substrate preincubated for 15 min...


Bioorg Med Chem 25: 633-645 (2017)

More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human BSEP expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate uptake


Drug Metab Dispos 40: 130-8 (2011)

More data for this
Ligand-Target Pair
Bile salt export pump


(Rattus norvegicus)
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Sprague-Dawley rat Bsep expressed in plasma membrane vesicles of Sf21 cells assessed as inhibition of ATP-dependent [3H]taurocholate up...


Drug Metab Dispos 40: 130-8 (2011)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 188n/an/an/an/an/an/a



Institute of Drug Synthesis and Pharmaceutical Process, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou 510006, China.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using benzylamine as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by fluo...


Bioorg Med Chem 23: 3722-9 (2015)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 130n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assay


J Med Chem 58: 5561-78 (2015)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assay


J Med Chem 58: 5561-78 (2015)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
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n/an/an/a 275n/an/an/an/an/a



Dart NeuroScience, LLC

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant microsomal MAO-B by ITC


Bioorg Med Chem 23: 770-8 (2015)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
PDB

UniProtKB/SwissProt

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UniChem

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n/an/a 192n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using p-tyramine as substrate assessed as H2O2 production after 15 mins by fluorescence assay


Bioorg Med Chem Lett 25: 508-13 (2015)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Rattus norvegicus (rat))
BDBM50172756
PNG
(Benzyl-methyl-prop-2-ynyl-amine | CHEMBL673 | Euto...)
Show SMILES CN(CC#C)Cc1ccccc1
Show InChI InChI=1S/C11H13N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,4-8H,9-10H2,2H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
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PubMed
n/an/a 3.90E+5n/an/an/an/an/an/a



Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of MAOA in rat liver homogenates preincubated for 60 mins


Bioorg Med Chem Lett 18: 6362-8 (2008)

More data for this
Ligand-Target Pair