BindingDB 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

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 C[N@](CCCOc1ccc(cc1Cl)Cl)CC#C

InChI Key InChIKey=BTFHLQRNAMSNLC-UHFFFAOYSA-N

Data 19 KI 215 IC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 15581

Amine oxidase [flavin-containing] A(Human)
University of Bari Aldo Moro

Curated by ChEMBL

BDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)

IC50: 2nMAssay Description:Inhibition of human recombinant MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate incubated for 50 mins by sp...More data for this Ligand-Target Pair

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Date in BDB:
12/14/2024
Entry Details
PubMed PDB

3D Structure (crystal)

Amine oxidase [flavin-containing] A(Human)
University of Bari Aldo Moro

Curated by ChEMBL

BDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)

IC50: 2.5nMAssay Description:Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair

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Date in BDB:
2/27/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Amine oxidase [flavin-containing] A(Human)
University of Bari Aldo Moro

Curated by ChEMBL

BDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)

PDB
UniProtKB/SwissProt
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Date in BDB:
2/27/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Amine oxidase [flavin-containing] A(Human)
University of Bari Aldo Moro

Curated by ChEMBL

BDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)

IC50: 3.80nMAssay Description:Inhibition of recombinant human MAO-A expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...More data for this Ligand-Target Pair

PDB
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Date in BDB:
2/19/2021
Entry Details Article
PubMed PDB

3D Structure (crystal)

Amine oxidase [flavin-containing] A(Human)
University of Bari Aldo Moro

Curated by ChEMBL

BDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)

IC50: 4.90nMAssay Description:Inhibition of human recombinant MAO-A using kynuramine substrate by spectrophotometric assayMore data for this Ligand-Target Pair

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Date in BDB:
10/13/2016
Entry Details Article
PubMed PDB

3D Structure (crystal)

Amine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL

BDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)

IC50: 2.48E+3nMAssay Description:Inhibition of human recombinant MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate incubated for 50 mins by sp...More data for this Ligand-Target Pair

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Date in BDB:
12/14/2024
Entry Details
PubMed

Amine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL

BDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)

IC50: 2.50E+3nMAssay Description:Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins b...More data for this Ligand-Target Pair

PDB
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Date in BDB:
2/19/2021
Entry Details Article
PubMed

Amine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL

BDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)

IC50: 2.55E+3nMAssay Description:Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...More data for this Ligand-Target Pair

PDB
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Date in BDB:
2/27/2021
Entry Details Article
PubMed

Amine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL

BDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)

PDB
UniProtKB/SwissProt
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Date in BDB:
2/27/2021
Entry Details Article
PubMed

Amine oxidase [flavin-containing] B(Human)
University of Bari Aldo Moro

Curated by ChEMBL

BDBM15581(US8633208, Clorgyline | [3-(2,4-dichlorophenoxy)pr...)

IC50: 1.10E+4nMAssay Description:Inhibition of human recombinant MAO-B using kynuramine substrate by spectrophotometric assayMore data for this Ligand-Target Pair

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Date in BDB:
10/13/2016
Entry Details Article
PubMed

Filter my 237 hits

Targets 9▿
- Amine oxidase [flavin-containing] A 131
- Amine oxidase [flavin-containing] B 95
- Amine oxidase [flavin-containing] A/B 3
- Sigma non-opioid intracellular receptor 1 2
- 5-hydroxytryptamine receptor 2C 2
- Cytochrome P450 2B1 1
- Sigma intracellular receptor 2 1
- Acetylcholinesterase 1
- Cholinesterase 1
Publications 50▿
- Bioorg Med Chem 17: 675-89 (2009) 4
- J Med Chem 63: 1361-1387 (2020) 4
- J Med Chem 59: 6791-806 (2016) 4
- Eur J Med Chem 121: 864-879 (2016) 4
- J Med Chem 63: 15187-15217 (2020) 3
- Eur J Med Chem 239: (2022) 2
- Bioorg Med Chem Lett 22: 3343-8 (2012) 2
- Bioorg Med Chem Lett 25: 70-4 (2015) 2
- Eur J Med Chem 202: (2020) 2
- Bioorg Med Chem 22: 2887-95 (2014) 2
- Bioorg Med Chem 15: 5775-86 (2007) 2
- Bioorg Med Chem Lett 29: 1012-1018 (2019) 2
- J Med Chem 55: 10424-36 (2012) 2
- Bioorg Med Chem 25: 714-726 (2017) 2
- Bioorg Med Chem 25: 3006-3017 (2017) 2
- Bioorg Med Chem Lett 26: 4714-4719 (2016) 2
- J Med Chem 51: 4874-80 (2008) 2
- Eur J Med Chem 145: 588-593 (2018) 2
- J Med Chem 58: 5561-78 (2015) 2
- Bioorg Med Chem 18: 1273-9 (2010) 2
- Bioorg Med Chem 25: 1030-1041 (2017) 2
- Bioorg Med Chem 26: 1102-1115 (2018) 2
- Eur J Med Chem 80: 543-61 (2014) 2
- Eur J Med Chem 194: (2020) 2
- Eur J Med Chem 126: 762-775 (2017) 2
- Eur J Med Chem 243: (2022) 2
- Bioorg Med Chem 35: (2021) 2
- Eur J Med Chem 46: 5838-51 (2011) 2
- J Med Chem 46: 917-20 (2003) 2
- Eur J Med Chem 58: 405-17 (2012) 2
- Eur J Med Chem 59: 91-100 (2013) 2
- Bioorg Med Chem Lett 20: 6479-82 (2010) 2
- Eur J Med Chem 161: 292-309 (2019) 2
- Bioorg Med Chem 92: (2023) 2
- Eur J Med Chem 249: (2023) 2
- Eur J Med Chem 143: 1543-1552 (2018) 2
- Eur J Med Chem 255: (2023) 2
- J Med Chem 61: 7043-7064 (2018) 2
- Eur J Med Chem 117: 292-300 (2016) 2
- Bioorg Med Chem Lett 27: 5046-5052 (2017) 2
- Bioorg Med Chem Lett 20: 2709-12 (2010) 2
- Bioorg Med Chem 28: (2020) 2
- J Med Chem 64: 11169-11182 (2021) 2
- Bioorg Med Chem 28: (2020) 2
- Eur J Med Chem 209: (2021) 2
- J Med Chem 57: 10455-63 (2014) 2
- J Med Chem 26: 1036-42 (1983) 2
- Bioorg Chem 70: 17-26 (2017) 2
- J Med Chem 53: 6516-20 (2010) 2
- J Med Chem 59: 5879-93 (2016) 2
- ...
Institutions 26▿
- Sapienza University of Rome 18
- University of Bari Aldo Moro 10
- Sichuan University 8
- University of Porto 6
- Nanyang Normal University 6
- Guizhou Medical University 6
- Hacettepe University 6
- Okayama University 6
- Magna Graecia University of Catanzaro 4
- University of Ljubljana 4
- Hefei University of Technology 4
- Soochow University 3
- North Sichuan Medical College 2
- The University of Tours 2
- National Research Center 2
- Laboratorio De Quimica Medica (Iqog, Csic) 2
- University of Southern California 2
- Sunchon National University 2
- University of Santiago De Compostela 2
- TBA 2
- The University of British Columbia 2
- "G. D'Annunzio" University of Chieti-Pescara 2
- King Saud University 2
- Affiated Tumor Hospital of Guangxi Medical University 2
- General Hospital of Pla 2
- Quaid-I-Azam University 2
- ...
Affinity: 0.0040 to 9.4E+6 nM▿
- Ki 19
- IC50 218
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1