rasagiline [Ligand Id: 6641] activity data from GtoPdb and ChEMBL

Click here for a description of the charts and data table

Please tell us if you are using this feature and what you think!

ChEMBL ligand: CHEMBL887 (Azilect, TV-1030, Rasagiline, AGN-1135)
  • acetylcholinesterase (Cartwright blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
There should be some charts here, you may need to enable JavaScript!
  • butyrylcholinesterase/Butyrylcholinesterase in Human [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
acetylcholinesterase (Cartwright blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
ChEMBL Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate incubated for 15 mins by Ellman's method B 7.72 pIC50 19 nM IC50 Bioorg Med Chem Lett (2017) 27: 5053-5059 [PMID:29033232]
butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
ChEMBL Inhibition of human serum BChE using butyrylthiocholine chloride as substrate incubated for 15 mins by Ellman's method B 5.32 pIC50 4760 nM IC50 Bioorg Med Chem Lett (2017) 27: 5053-5059 [PMID:29033232]
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL Binding affinity towards monoamine oxidase A activity was measured using a kynuramine assay B 5.01 pKi 9700 nM Ki J. Med. Chem. (2004) 47: 1760-1766 [PMID:15027867]
ChEMBL Inhibition of human recombinant microsomal MAOA expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2 production by amplex red-based fluorescence assay B 4.28 pIC50 53000 nM IC50 Eur J Med Chem (2018) 158: 781-800 [PMID:30245401]
ChEMBL Inhibition of human recombinant microsomal MAOA expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2 production after 15 mins by amplex red-based fluorescence assay B 4.28 pIC50 52974 nM IC50 J Med Chem (2017) 60: 7206-7212 [PMID:28753307]
ChEMBL Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric method B 4.29 pIC50 50710 nM IC50 Bioorg Med Chem (2016) 24: 5929-5940 [PMID:27692996]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followed by substrate addition after 20 mins by Amplex red reagent based fluorimetric method B 4.3 pIC50 49700 nM IC50 Bioorg Med Chem (2017) 25: 3815-3826 [PMID:28549891]
ChEMBL Inhibition of human recombinant microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate assessed as production of H2O2 incubated for 15 mins followed by substrate addition measured over 15 mins by fluorimetric analysis B 4.78 pIC50 16440 nM IC50 Eur. J. Med. Chem. (2013) 63: 151-161 [PMID:23474901]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorimetric method B 5.58 pIC50 2610 nM IC50 Bioorg Med Chem (2017) 25: 1997-2009 [PMID:28237559]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay B 5.67 pIC50 2130 nM IC50 Bioorg Med Chem (2017) 25: 3006-3017 [PMID:28487125]
ChEMBL Inhibition of recombinant human MAO-A using kynuramine as substrate after 30 mins by fluorescence method B 5.67 pIC50 2130 nM IC50 Bioorg Med Chem Lett (2017) 27: 5046-5052 [PMID:29033233]
ChEMBL Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay B 5.81 pIC50 1560 nM IC50 Bioorg Med Chem Lett (2017) 27: 5053-5059 [PMID:29033232]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected High 5 insect cells using kynuramine as substrate incubated for 30 mins by spectrofluorometric method B 5.85 pIC50 1420 nM IC50 Bioorg Med Chem (2017) 25: 1030-1041 [PMID:28011206]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 30 mins by fluorescence assay B 5.85 pIC50 1420 nM IC50 Eur J Med Chem (2017) 126: 762-775 [PMID:27951485]
ChEMBL Inhibition of human recombinant MAO-A using kynuramine as substrate measured after 30 mins by fluorescence assay B 5.85 pIC50 1420 nM IC50 Bioorg Med Chem (2017) 25: 714-726 [PMID:27923535]
ChEMBL Inhibition of human recombinant MAO-A using kynuramine as substrate after 30 mins by fluorescence spectrophotometry B 5.85 pIC50 1420 nM IC50 Bioorg. Med. Chem. (2016) 24: 2342-2351 [PMID:27079124]
ChEMBL Inhibition of recombinant human MAO-A using kynuramine as substrate after 30 mins by fluorescence assay B 5.85 pIC50 1420 nM IC50 Bioorg Med Chem (2018) 26: 1885-1895 [PMID:29500132]
ChEMBL Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by Amplex red reagent-based fluorimetric method B 6 pIC50 1010 nM IC50 Eur J Med Chem (2018) 145: 588-593 [PMID:29339253]
ChEMBL Inhibition of recombinant human MAO-A using kynuramine as substrate after 30 mins by fluorescence assay B 6.15 pIC50 710 nM IC50 Bioorg Med Chem Lett (2017) 27: 718-722 [PMID:28131710]
ChEMBL Irreversible inhibition of human cerebral cortex MAO-A using [14C]-5-hydroxytryptamine creatinine disulphate as substrate pretreated for 60 mins followed by substrate addition after 30 mins by liquid scintillation counting method B 6.15 pIC50 710 nM IC50 Eur J Med Chem (2017) 130: 365-378 [PMID:28273563]
ChEMBL Inhibitory concentration towards in human monoamine oxidase A was measured B 6.15 pIC50 700 nM IC50 J. Med. Chem. (2004) 47: 1760-1766 [PMID:15027867]
ChEMBL Inhibition of human recombinant MAOA assessed as H2O2 production by Amplex Red reagent-based assay B 6.15 pIC50 700 nM IC50 J. Med. Chem. (2012) 55: 8483-8492 [PMID:22978824]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay B 6.23 pIC50 587 nM IC50 Bioorg Med Chem (2018) 26: 1102-1115 [PMID:29409707]
ChEMBL Inhibition Assay: MAO-A and MAO-B activity was measured using radioactive substrates. The substrate for MAO-A was 5 HT and for MAO-B was PEA. When measuring the activity of MAO-A, the MAO-B activity was inhibited with deprenyl and when measuring the activity of MAO-B the activity of MAO-A was inhibited with clorgylin. Blank samples were produced using TCP to inhibit both of the enzymes. The metabolites were extracted to toluene and read in a β -counter. The results are expressed in relative activity and normalized to the amount of protein in the tissue. Figs. 1 and 2 show MAO-A/MAO-B activity of compounds 3, 4 and of 0-Methyl-M3O at various concentrations (10 -"5 -10 -"8 ). As presented in Figs. 1 and 2, it can be seen that compounds 3, 4 and 0-Methyl-M3O were all potent inhibitors of MAO-A and MAO-B extracted from rat brain, compound 3 clearly the most potent inhibitor of the three compounds. B 6.39 pIC50 410 nM IC50 US-9034303-B2. Neuroprotective and neuro-restorative iron chelators and monoamine oxidase inhibitors and uses thereof (2015)
ChEMBL Inhibition of MAOA B 6.39 pIC50 410 nM IC50 J. Med. Chem. (2008) 51: 347-372 [PMID:18181565]
Monoamine oxidase A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3358] [UniProtKB: P21396]
ChEMBL In vitro inhibitory concentration against Monoamine oxidase A of rat brain homogenates; value ranges from 0.28-0.54 B 6.39 pIC50 410 nM IC50 J. Med. Chem. (2002) 45: 5260-5279 [PMID:12431053]
ChEMBL Inhibition of rat brain MAO-A in nuclei-free homogenates using [14C]hydroxytryptamine substrate after 20 mins by liquid scintillation counting B 9 pIC50 1 nM IC50 J. Med. Chem. (2015) 58: 1400-1419 [PMID:25627172]
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
ChEMBL Binding affinity towards monoamine oxidase B activity was measured using a benzylamine assay B 6.15 pKi 700 nM Ki J. Med. Chem. (2004) 47: 1760-1766 [PMID:15027867]
ChEMBL Inhibition constant against human recombinant Monoamine oxidase-B B 6.15 pKi 700 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 4438-4446 [PMID:16137882]
ChEMBL Binding affinity to human recombinant MAOB B 6.15 pKi 700 nM Ki MedChemComm (2011) 2: 1099-1103
ChEMBL Inhibition of human recombinant microsomal MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins by MAO-Glo assay B 7.85 pKi 14.2 nM Ki Bioorg. Med. Chem. (2015) 23: 770-778 [PMID:25600407]
ChEMBL Inhibition of human recombinant soluble MAO-B expressed in Pichia pastoris incubated for 30 mins prior to substrate addition measured after 60 mins by MAO-Glo assay B 8.12 pKi 7.6 nM Ki Bioorg. Med. Chem. (2015) 23: 770-778 [PMID:25600407]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate pretreated for 15 mins followed by substrate addition after 20 mins by Amplex red reagent based fluorimetric method B 5.13 pIC50 7470 nM IC50 Bioorg Med Chem (2017) 25: 3815-3826 [PMID:28549891]
ChEMBL Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay B 7.06 pIC50 87.6 nM IC50 Bioorg Med Chem Lett (2017) 27: 5053-5059 [PMID:29033232]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay B 7.07 pIC50 86 nM IC50 Bioorg Med Chem (2017) 25: 3006-3017 [PMID:28487125]
ChEMBL Inhibition of recombinant human MAO-B using kynuramine as substrate after 30 mins by fluorescence method B 7.07 pIC50 86 nM IC50 Bioorg Med Chem Lett (2017) 27: 5046-5052 [PMID:29033233]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected High 5 insect cells using kynuramine as substrate incubated for 30 mins by spectrofluorometric method B 7.08 pIC50 83 nM IC50 Bioorg Med Chem (2017) 25: 1030-1041 [PMID:28011206]
ChEMBL Inhibition of recombinant human MAO-B using kynuramine as substrate after 30 mins by fluorescence assay B 7.08 pIC50 83 nM IC50 Bioorg Med Chem (2018) 26: 1885-1895 [PMID:29500132]
ChEMBL Inhibition of human recombinant MAO-B using kynuramine as substrate after 30 mins by fluorescence spectrophotometry B 7.08 pIC50 82.5 nM IC50 Bioorg. Med. Chem. (2016) 24: 2342-2351 [PMID:27079124]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate incubated for 30 mins by fluorescence assay B 7.08 pIC50 82.5 nM IC50 Eur J Med Chem (2017) 126: 762-775 [PMID:27951485]
ChEMBL Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay B 7.08 pIC50 82.5 nM IC50 Bioorg Med Chem (2017) 25: 714-726 [PMID:27923535]
ChEMBL Inhibition of human recombinant microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate assessed as production of H2O2 incubated for 15 mins followed by substrate addition measured over 15 mins by fluorimetric analysis B 7.16 pIC50 69 nM IC50 Eur. J. Med. Chem. (2013) 63: 151-161 [PMID:23474901]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using tyramine as substrate pretreated for 30 mins followed by substrate addition incubated for 30 mins measured at 5 mins interval by horse-radish peroxidase/amplex red-based fluorometric method B 7.18 pIC50 66 nM IC50 Eur J Med Chem (2017) 131: 92-106 [PMID:28301816]
ChEMBL Inhibition of human recombinant MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2 production by amplex red-based fluorescence assay B 7.3 pIC50 50 nM IC50 Eur J Med Chem (2018) 158: 781-800 [PMID:30245401]
ChEMBL Inhibition of human recombinant microsomal MAOB expressed in baculovirus infected BTI-TN-5B1- 4 cells using p-tyramine as substrate assessed as decrease in H2O2 production after 15 mins by amplex red-based fluorescence assay B 7.3 pIC50 49.66 nM IC50 J Med Chem (2017) 60: 7206-7212 [PMID:28753307]
ChEMBL Inhibition of recombinant human MAO-B expressed in insect cells using kynuramine as substrate assessed as formation of 4-hydroxyquinoline measured every 5 mins for 30 mins B 7.34 pIC50 46 nM IC50 Bioorg. Med. Chem. (2013) 21: 6634-6641 [PMID:24012376]
ChEMBL Inhibition of human recombinant MAO-B expressed in insect cells assessed as kynuramine hydrobromide oxidation after 20 mins by spectrophotometric analysis B 7.34 pIC50 46 nM IC50 Bioorg. Med. Chem. (2012) 20: 3065-3071 [PMID:22436387]
ChEMBL Inhibition of recombinant human MAO-B using kynuramine as substrate after 30 mins by fluorescence assay B 7.36 pIC50 44 nM IC50 Bioorg Med Chem Lett (2017) 27: 718-722 [PMID:28131710]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorescence assay B 7.55 pIC50 28.1 nM IC50 Bioorg Med Chem (2018) 26: 1102-1115 [PMID:29409707]
GtoPdb - - 7.85 pIC50 14 nM IC50 Br. J. Pharmacol. (2001) 132: 500-6 [PMID:11159700]
ChEMBL Inhibitory concentration towards in human monoamine oxidase B was measured B 7.85 pIC50 14 nM IC50 J. Med. Chem. (2004) 47: 1760-1766 [PMID:15027867]
ChEMBL Irreversible inhibition of human cerebral cortex MAO-B using [14C]-phenylethylamin as substrate pretreated for 60 mins followed by substrate addition after 20 mins by liquid scintillation counting method B 7.85 pIC50 14 nM IC50 Eur J Med Chem (2017) 130: 365-378 [PMID:28273563]
ChEMBL Irreversible inhibition of human recombinant MAOB B 7.85 pIC50 14 nM IC50 MedChemComm (2011) 2: 1099-1103
ChEMBL Inhibition of human recombinant MAOB assessed as H2O2 production by Amplex Red reagent-based assay B 7.85 pIC50 14 nM IC50 J. Med. Chem. (2012) 55: 8483-8492 [PMID:22978824]
ChEMBL Inhibition of recombinant human MAO-B using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured over 15 mins by Amplex red reagent-based fluorimetric method B 8 pIC50 10 nM IC50 Eur J Med Chem (2018) 145: 588-593 [PMID:29339253]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using kynuramine as substrate after 30 mins by fluorimetric method B 8 pIC50 9.97 nM IC50 Bioorg Med Chem (2017) 25: 1997-2009 [PMID:28237559]
ChEMBL Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as decrease in H2O2 production incubated for 15 mins by fluorimetric method B 8.1 pIC50 7.87 nM IC50 Bioorg Med Chem (2016) 24: 5929-5940 [PMID:27692996]
ChEMBL Inhibition of MAOB B 8.36 pIC50 4.4 nM IC50 J. Med. Chem. (2008) 51: 347-372 [PMID:18181565]
ChEMBL Inhibition Assay: MAO-A and MAO-B activity was measured using radioactive substrates. The substrate for MAO-A was 5 HT and for MAO-B was PEA. When measuring the activity of MAO-A, the MAO-B activity was inhibited with deprenyl and when measuring the activity of MAO-B the activity of MAO-A was inhibited with clorgylin. Blank samples were produced using TCP to inhibit both of the enzymes. The metabolites were extracted to toluene and read in a β -counter. The results are expressed in relative activity and normalized to the amount of protein in the tissue. Figs. 1 and 2 show MAO-A/MAO-B activity of compounds 3, 4 and of 0-Methyl-M3O at various concentrations (10 -"5 -10 -"8 ). As presented in Figs. 1 and 2, it can be seen that compounds 3, 4 and 0-Methyl-M3O were all potent inhibitors of MAO-A and MAO-B extracted from rat brain, compound 3 clearly the most potent inhibitor of the three compounds. B 8.4 pIC50 4 nM IC50 US-9034303-B2. Neuroprotective and neuro-restorative iron chelators and monoamine oxidase inhibitors and uses thereof (2015)
Monoamine oxidase B in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2993] [GtoPdb: 2490] [UniProtKB: P19643]
ChEMBL Inhibition of rat MAOB using benzylamine as substrate pretreated for 1200 secs followed by substrate addition and measured after 3600 secs B 4.98 pIC50 10360 nM IC50 Bioorg Med Chem (2018) 26: 4863-4870 [PMID:30143367]
ChEMBL Inhibition of rat brain MAO-B in nuclei-free homogenates using [14C]phenylacetaldehyde substrate after 20 mins by liquid scintillation counting B 5.52 pIC50 3000 nM IC50 J. Med. Chem. (2015) 58: 1400-1419 [PMID:25627172]
ChEMBL In vitro inhibitory concentration against Monoamine oxidase B of rat brain homogenates; value ranges from 0.0035-0.053 B 8.36 pIC50 4.4 nM IC50 J. Med. Chem. (2002) 45: 5260-5279 [PMID:12431053]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]