BDBM10989 (1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-amine::CHEMBL887::Rasagiline::US9034303, Rasagiline
SMILES: C#CCN[C@@H]1CCc2ccccc12
InChI Key: InChIKey=RUOKEQAAGRXIBM-GFCCVEGCSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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Cholinesterases (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 4.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Nanyang Normal University Curated by ChEMBL | Assay Description Inhibition of human serum BChE using butyrylthiocholine chloride as substrate incubated for 15 mins by Ellman's method | Bioorg Med Chem Lett 27: 5053-5059 (2017) BindingDB Entry DOI: 10.7270/Q22J6F9F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 7.47E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followe... | Bioorg Med Chem 25: 3815-3826 (2017) BindingDB Entry DOI: 10.7270/Q2BG2RH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.64E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Santiago de Compostela Curated by ChEMBL | Assay Description Inhibition of human recombinant microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate assessed as produ... | Eur J Med Chem 63: 151-61 (2013) BindingDB Entry DOI: 10.7270/Q2TH8QM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 4.97E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followe... | Bioorg Med Chem 25: 3815-3826 (2017) BindingDB Entry DOI: 10.7270/Q2BG2RH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 5.07E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric met... | Bioorg Med Chem 24: 5929-5940 (2016) Article DOI: 10.1016/j.bmc.2016.09.050 BindingDB Entry DOI: 10.7270/Q2FN1854 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Porto Curated by ChEMBL | Assay Description Inhibition of human recombinant microsomal MAOA expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decre... | J Med Chem 60: 7206-7212 (2017) BindingDB Entry DOI: 10.7270/Q23B62KQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 5.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Porto Curated by ChEMBL | Assay Description Inhibition of human recombinant microsomal MAOA expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decre... | Eur J Med Chem 158: 781-800 (2018) BindingDB Entry DOI: 10.7270/Q2F192DM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 9.70E+3 | -6.83 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Emory University | Assay Description MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ... | J Med Chem 47: 1760-6 (2004) Article DOI: 10.1021/jm0310885 BindingDB Entry DOI: 10.7270/Q2P8494M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 700 | -8.39 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Pavia | Assay Description MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ... | J Med Chem 48: 8148-54 (2005) Article DOI: 10.1021/jm0506266 BindingDB Entry DOI: 10.7270/Q2T151WC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 9.70E+3 | -6.83 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Pavia | Assay Description MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ... | J Med Chem 48: 8148-54 (2005) Article DOI: 10.1021/jm0506266 BindingDB Entry DOI: 10.7270/Q2T151WC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 700 | -8.39 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Emory University | Assay Description MAO A and MAO B activities were determined spectrophotometrically at 316 nm and 250 nm using kynuramine and benzylamine as substrates, respectively. ... | J Med Chem 47: 1760-6 (2004) Article DOI: 10.1021/jm0310885 BindingDB Entry DOI: 10.7270/Q2P8494M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine oxidase type B (MAO-B) Mutant (I199F) (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB MMDB B.MOAD GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University | Assay Description MAO A and MAO B activities were determined spectrophotometrically. Competitive Ki values for both enzymes were determined by measuring initial rates ... | J Biol Chem 280: 15761-6 (2005) Article DOI: 10.1074/jbc.M500949200 BindingDB Entry DOI: 10.7270/Q2DR2SP5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) Article DOI: 10.1016/j.bmc.2014.12.063 BindingDB Entry DOI: 10.7270/Q2J38V8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) Article DOI: 10.1016/j.bmcl.2005.07.043 BindingDB Entry DOI: 10.7270/Q2KW5FKR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM10989![]() ((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEBI CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 7.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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) Article DOI: 10.1016/j.bmc.2014.12.063 BindingDB Entry DOI: 10.7270/Q2J38V8K | |||||||||||
More data for this Ligand-Target Pair |
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