BindingDB

null

SMILES C#CCN[C@@H]1CCc2ccccc12

InChI Key InChIKey=RUOKEQAAGRXIBM-GFCCVEGCSA-N

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 10989

Amine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Porto

Curated by ChEMBL

BDBM10989((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)copy SMILEScopy InChI

IC50: 50nMAssay Description:Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2...More data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q2F192DMPubMed

Amine oxidase [flavin-containing] A(Homo sapiens (Human))
University of Porto

Curated by ChEMBL

BDBM10989((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)copy SMILEScopy InChI

IC50: 5.30E+4nMAssay Description:Inhibition of human recombinant microsomal MAOA expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decre...More data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q2F192DMPubMed

Amine oxidase [flavin-containing] A(Homo sapiens (Human))
University of Porto

Curated by ChEMBL

BDBM10989((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)copy SMILEScopy InChI

IC50: 3.65E+3nMAssay Description:Inhibition of human microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in 4-hydroxyquinoline formation using...More data for this Ligand-Target Pair

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BindingDB Entry DOI: 10.7270/Q21N84DJPubMed

Amine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Porto

Curated by ChEMBL

BDBM10989((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)copy SMILEScopy InChI

IC50: 1.47E+5nMAssay Description:Inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in 4-hydroxyquinoline formation using...More data for this Ligand-Target Pair

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Details Article
BindingDB Entry DOI: 10.7270/Q21N84DJPubMed

Amine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Porto

Curated by ChEMBL

BDBM10989((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)copy SMILEScopy InChI

IC50: 50nMAssay Description:Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...More data for this Ligand-Target Pair

PDB
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antibodypedia GoogleScholar

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BindingDB Entry DOI: 10.7270/Q2X92FSJPubMed

Amine oxidase [flavin-containing] B(Homo sapiens (Human))
University of Porto

Curated by ChEMBL

BDBM10989((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)copy SMILEScopy InChI

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

Purchase CHEMBL DrugBank MCE
PC cid PC sid PDB Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2X92FSJPubMed

Amine oxidase [flavin-containing] A(Homo sapiens (Human))
University of Porto

Curated by ChEMBL

BDBM10989((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)copy SMILEScopy InChI

IC50: 5.30E+4nMAssay Description:Inhibition of human microsomal MAO-A expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production...More data for this Ligand-Target Pair

PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar

Purchase CHEMBL DrugBank MCE
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Details Article
BindingDB Entry DOI: 10.7270/Q2X92FSJPubMed

Targets 10 ▿
- Amine oxidase [flavin-containing] B 70
- Amine oxidase [flavin-containing] A 50
- Acetylcholinesterase 2
- Cholinesterase 2
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- ATP-binding cassette sub-family C member 2 1
- Amine oxidase [flavin-containing] B [I199F] 1
- 5-hydroxytryptamine receptor 6 1
- Bile salt export pump 1
Publications 50 ▿
- Bioorg Med Chem Lett 27: 5053-5059 (2017) 4
- Toxicol Sci 136: 216-41 (2013) 4
- J Med Chem 57: 6679-703 (2014) 4
- Eur J Med Chem 162: 793-809 (2019) 4
- J Med Chem 59: 5879-93 (2016) 3
- Bioorg Med Chem Lett 28: 3596-3600 (2018) 2
- Bioorg Chem 71: 305-314 (2017) 2
- J Med Chem 55: 8483-92 (2012) 2
- Eur J Med Chem 178: 726-739 (2019) 2
- J Med Chem 62: 8881-8914 (2019) 2
- Bioorg Med Chem 25: 714-726 (2017) 2
- Bioorg Med Chem 25: 3006-3017 (2017) 2
- Bioorg Med Chem 26: 1885-1895 (2018) 2
- Eur J Med Chem 180: 238-252 (2019) 2
- Eur J Med Chem 179: 404-422 (2019) 2
- Bioorg Med Chem Lett 27: 718-722 (2017) 2
- Eur J Med Chem 145: 588-593 (2018) 2
- Eur J Med Chem 158: 781-800 (2018) 2
- J Med Chem 51: 347-72 (2008) 2
- Eur J Med Chem 185: (2020) 2
- US Patent US9034303 (2015) 2
- Bioorg Med Chem 25: 3815-3826 (2017) 2
- Bioorg Med Chem 25: 1030-1041 (2017) 2
- Bioorg Med Chem 26: 1102-1115 (2018) 2
- Eur J Med Chem 183: (2019) 2
- Eur J Med Chem 130: 365-378 (2017) 2
- Eur J Med Chem 126: 762-775 (2017) 2
- Bioorg Med Chem Lett 29: (2019) 2
- J Med Chem 63: 1361-1387 (2020) 2
- Bioorg Med Chem 24: 5929-5940 (2016) 2
- Bioorg Med Chem 25: 1997-2009 (2017) 2
- Eur J Med Chem 173: 203-212 (2019) 2
- J Med Chem 60: 7206-7212 (2017) 2
- Eur J Med Chem 63: 151-61 (2013) 2
- J Med Chem 47: 1760-6 (2004) 2
- J Med Chem 48: 8148-54 (2005) 2
- Bioorg Med Chem Lett 27: 5046-5052 (2017) 2
- Bioorg Med Chem 26: 4863-4870 (2018) 2
- Bioorg Med Chem 28: (2020) 2
- J Med Chem 58: 1400-19 (2015) 2
- Bioorg Med Chem 23: 770-8 (2015) 2
- Bioorg Med Chem 28: (2020) 2
- Bioorg Med Chem 24: 2342-51 (2016) 2
- Bioorg Med Chem Lett 30: (2020) 1
- Bioorg Med Chem Lett 29: (2019) 1
- Eur J Med Chem 131: 92-106 (2017) 1
- J Biol Chem 280: 15761-6 (2005) 1
- Bioorg Med Chem 21: 6634-41 (2013) 1
- Bioorg Med Chem 27: 1195-1210 (2019) 1
- Bioorg Med Chem Lett 15: 4438-46 (2005) 1
- ...
Institutions 31 ▿
- [Sichuan University] 18
- [College of Chemistry and Pharmaceutical Engineering, Nanyang Normal University, Nanyang 473061, China. Electronic address: sangzhipei@126.com.] 8
- [University of Porto] 7
- [NTZ Lab Ltd., Guizhou Medical University] 6
- [NTZ Lab Ltd., Guizhou Medical University] 6
- [China Pharmaceutical University, University of Bonn, Nanyang Normal University, Amgen Inc] 4
- [China Pharmaceutical University, University of Bonn, Nanyang Normal University, Amgen Inc] 4
- [China Pharmaceutical University, University of Bonn, Nanyang Normal University, Amgen Inc] 4
- [China Pharmaceutical University, University of Bonn, Nanyang Normal University, Amgen Inc] 4
- [Emory University, Jagiellonian University Medical College] 3
- [Emory University, Jagiellonian University Medical College] 3
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [Chinese Academy of Sciences, CIQUP/Department of Chemistry and Biochemistry, Faculty of Sciences, University of Porto , 4169-007 Porto, Portugal., University of Ljubljana, Hefei University of Technology, Institute of Materia Medica, Dart NeuroScience, LLC, Seoul National University, University of Pavia, State Key Laboratory of Natural Medicines, Department of Natural Medicinal Chemistry, China Pharmaceutical University, 24 Tong Jia Xiang, Nanjing 210009, People's Republic of China., University of Santiago de Compostela, TBA, Hainan Normal University, Sun Yat-sen University, A* STAR (Agency of Science, Technology and Research), University of Bologna] 2
- [University of Jinan-Shandong Academy of Medical Sciences, Heinrich Heine University D£sseldorf, Karolinska Institutet, Kadir Has University, Department of Pharmacology, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey.] 1
- [University of Jinan-Shandong Academy of Medical Sciences, Heinrich Heine University D£sseldorf, Karolinska Institutet, Kadir Has University, Department of Pharmacology, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey.] 1
- [University of Jinan-Shandong Academy of Medical Sciences, Heinrich Heine University D£sseldorf, Karolinska Institutet, Kadir Has University, Department of Pharmacology, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey.] 1
- [University of Jinan-Shandong Academy of Medical Sciences, Heinrich Heine University D£sseldorf, Karolinska Institutet, Kadir Has University, Department of Pharmacology, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey.] 1
- [University of Jinan-Shandong Academy of Medical Sciences, Heinrich Heine University D£sseldorf, Karolinska Institutet, Kadir Has University, Department of Pharmacology, Faculty of Pharmacy, Anadolu University, 26470 Eski?ehir, Turkey.] 1
- ...
Affinity: 1 to 2.3E+6 nM▿
- Ki 9
- IC50 121
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 1