selegiline [Ligand Id: 6639] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL972 (Emsam, Selegiline, Eldepryl, Zelapar)
  • α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913]
  • This target only has 1 pki data point
  • 6.17
1 CHEMBL972_lig_chart_1 Alpha-2a adrenergic receptor Human
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  • α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089]
  • This target only has 1 pki data point
  • 6.76
2 CHEMBL972_lig_chart_2 Alpha-2b adrenergic receptor Human
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  • Caspase 3/Caspase-3 in Human [ChEMBL: CHEMBL2334] [GtoPdb: 1619] [UniProtKB: P42574]
  • This target only has 0 pki data point
  • 0
3 CHEMBL972_lig_chart_3 Caspase-3 Human
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4 CHEMBL972_lig_chart_4 Monoamine oxidase A HumanBovineRat
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5 CHEMBL972_lig_chart_5 Monoamine oxidase B HumanBovineRat
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913]
ChEMBL DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) B 6.17 pKi 674 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) B 5.75 pIC50 1798 nM IC50 DrugMatrix in vitro pharmacology data
α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089]
ChEMBL DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) B 6.76 pKi 172 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) B 6.42 pIC50 376 nM IC50 DrugMatrix in vitro pharmacology data
Caspase 3/Caspase-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2334] [GtoPdb: 1619] [UniProtKB: P42574]
ChEMBL Inhibition of recombinant human caspase-3 using Ac-DEVD-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 60 mins by fluorometric assay B 4 pIC50 >100000 nM IC50 MedChemComm (2016) 7: 1628-1639
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
GtoPdb - - 4.17 pKi 67250 nM Ki Bioorg Med Chem Lett (2011) 21: 1969-73 [PMID:21377879]
ChEMBL Competitive inhibition of human recombinant MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry B 4.17 pKi 67250 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 1969-1973 [PMID:21377879]
ChEMBL Inhibition of recombinant human MAOA using kynuramine as substrate assessed as decrease in formation of 4-hydroxyquinoline incubated for 20 mins by fluorescence assay B 4.62 pKi 24060 nM Ki MedChemComm (2016) 7: 1628-1639
ChEMBL Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate addition measured for 15 mins by amplex red assay B 4.77 pKi 16890 nM Ki ACS Med. Chem. Lett. (2016) 7: 56-61 [PMID:26819666]
ChEMBL Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins B 5.04 pKi 9060 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 4296-4300 [PMID:21680183]
ChEMBL Competitive reversible inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assessed as H2O2 production after 15 mins by fluorimetric analysis B 5.04 pKi 9060 nM Ki Eur. J. Med. Chem. (2013) 69: 762-767 [PMID:24099995]
ChEMBL Inhibition of recombinant human MAO-A assessed as reduction in H2O2 production preincubated for 30 mins followed by p-tyramine substrate addition measured after 30 mins by amplex red reagent based fluorescence assay B 5.44 pKi 3600 nM Ki MedChemComm (2018) 9: 1164-1171
ChEMBL Inhibition of human MAOA using p-tyramine as substrate after 15 mins by Amplex Red MAO assay B 4.09 pIC50 81500 nM IC50 MedChemComm (2015) 6: 2146-2157
ChEMBL Inhibition of human recombinant MAO-A using p-tyramine as substrate incubated for 15 mins prior to substrate addition measured after 20 mins by fluorescence plate reader analysis B 4.15 pIC50 70200 nM IC50 Bioorg. Med. Chem. (2015) 23: 3722-3729 [PMID:25934229]
ChEMBL Inhibition of human recombinant MAOA assessed as H2O2 production by Amplex Red reagent-based assay B 4.15 pIC50 70200 nM IC50 J. Med. Chem. (2012) 55: 8483-8492 [PMID:22978824]
ChEMBL Inhibition of human MAO-A assessed as inhibition of p-tyramine oxidation to p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric method B 4.16 pIC50 68730 nM IC50 J. Med. Chem. (2011) 54: 5165-5173 [PMID:21696156]
ChEMBL Inhibition of human recombinant MAOA expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyramine after 15 mins by amplex red assay B 4.16 pIC50 68730 nM IC50 Eur. J. Med. Chem. (2011) 46: 5838-5851 [PMID:22005185]
ChEMBL Inhibition of human recombinant MAO-A assessed as inhibition of production of hydrogen peroxide after 15 mins by Amplex Red fluorimetric method B 4.16 pIC50 68730 nM IC50 Bioorg. Med. Chem. Lett. (2010) 20: 2709-2712 [PMID:20382016]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected insect cells assessed as reduction in H2O2 production using p-tyramine as substrate pretreated for 15 mins followed by substrate addition and measured over 15 mins by Amplex red reagent based fluorimetric assay B 4.16 pIC50 68730 nM IC50 MedChemComm (2017) 8: 1788-1796
ChEMBL Inhibition of human recombinant MAOA expressed in baculovirus-infected BTI insect cells assessed as conversion of p-tyramine into p-hydroxyphenyl-acetaldehyde after 15 mins by fluorimetric assay B 4.16 pIC50 68730 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 258-261 [PMID:22137786]
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 4.16 pIC50 68730 nM IC50 J Med Chem (2017) 60: 7206-7212 [PMID:28753307]
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 by horse-radish peroxidase/amplex red-based fluorescence method B 4.16 pIC50 68700 nM IC50 Eur J Med Chem (2018) 156: 534-553 [PMID:30025348]
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 4.16 pIC50 68700 nM IC50 Eur J Med Chem (2018) 158: 781-800 [PMID:30245401]
ChEMBL Inhibition of human recombinant MAOA using p-tyramine as substrate incubated for 15 mins by fluorimetric method B 4.16 pIC50 68700 nM IC50 Eur J Med Chem (2016) 121: 376-386 [PMID:27267007]
ChEMBL Inhibition of human recombinant MAO-A expressed in baculovirus infected BT1 cells B 4.17 pIC50 67608.3 nM IC50 Bioorg. Med. Chem. Lett. (2010) 20: 6479-6482 [PMID:20934874]
ChEMBL Inhibition of human recombinant MAO-A expressed in BTI-TN-5B1-4 cells assessed as H2O2 production using para-tyramine substrate by fluorimetric method B 4.17 pIC50 67250 nM IC50 Eur. J. Med. Chem. (2011) 46: 1147-1152 [PMID:21316817]
ChEMBL Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect sells assessed as hydrogen peroxide production by fluorimetric method B 4.17 pIC50 67250 nM IC50 J. Med. Chem. (2011) 54: 2155-2164 [PMID:21405131]
ChEMBL Inhibition of human recombinant MAOA expressed in BTI insect cells using p-tyramine substrate by fluorometric method B 4.17 pIC50 67250 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 3268-3270 [PMID:19423346]
ChEMBL Inhibition of human recombinant MAO-A using p-tyramine substrate by fluorometric method B 4.17 pIC50 67250 nM IC50 Bioorg. Med. Chem. Lett. (2011) 21: 4224-4227 [PMID:21684743]
ChEMBL Inhibition of human recombinant MAO-A expressed in insect BT1-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine up to 15 mins by amplex red-based fluorometric assay B 4.17 pIC50 67250 nM IC50 J. Med. Chem. (2011) 54: 7127-7137 [PMID:21923181]
ChEMBL Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as inhibition of hydrogen peroxide production from p-tryptamine after 15 mins by fluorimetric method B 4.17 pIC50 67250 nM IC50 Eur. J. Med. Chem. (2012) 48: 284-295 [PMID:22222137]
ChEMBL Inhibition of human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate incubated for 15 mins prior to substrate addition measured for 15 mins by Amplex red assay B 4.17 pIC50 67250 nM IC50 Eur. J. Med. Chem. (2012) 58: 405-417 [PMID:23153812]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected BT1-TN-5B1-4 cells assessed as inhibition of production of hydrogen peroxide from p-tyramine after 15 mins by Amplex Red assay B 4.17 pIC50 67250 nM IC50 Eur. J. Med. Chem. (2013) 59: 91-100 [PMID:23207410]
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 4.17 pIC50 67250 nM IC50 Eur. J. Med. Chem. (2013) 63: 151-161 [PMID:23474901]
ChEMBL Inhibition of human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate assessed as hydrogen peroxide production by fluorimetric method B 4.17 pIC50 67250 nM IC50 MedChemComm (2010) 1: 61-72
ChEMBL Inhibition of recombinant human MAO-A assessed as production of hydrogen peroxide from p-tyramine after 15 mins by Amplex Red assay B 4.17 pIC50 67250 nM IC50 MedChemComm (2012) 3: 213-218
ChEMBL Inhibition of human recombinant MAO-A expressed in baculovirus-infected BTI-TN-5B1-4 cell microsomes assessed as decrease in H2O2 production using p-tyramine as substrate preincubated for 15 mins by Amplex Red reagent based fluorimetric method B 4.17 pIC50 67250 nM IC50 Bioorg. Med. Chem. (2014) 22: 2887-2895 [PMID:24746464]
ChEMBL Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells using p-tyramine substrate assessed as reduction in H2O2 production B 4.17 pIC50 67250 nM IC50 Bioorg. Med. Chem. Lett. (2015) 25: 642-648 [PMID:25532905]
ChEMBL Inhibition of human recombinant microsomal MAO-A expressed in baculovirus-infected insect BTI-TN-5B1-4 cells assessed as p-tyramine conversion to H2O2 by fluorescence assay B 4.17 pIC50 67250 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 5128-5130 [PMID:23927971]
ChEMBL Inhibition of human recombinant MAOA B 4.17 pIC50 67250 nM IC50 J. Med. Chem. (2008) 51: 4874-4880 [PMID:18666768]
ChEMBL Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells assessed as effect on H2O2 production from para-tyramine by fluorimetric method B 4.17 pIC50 67250 nM IC50 J. Med. Chem. (2009) 52: 1935-1942 [PMID:19267475]
ChEMBL Inhibition of human recombinant MAO-A assessed as hydrogen peroxide production B 4.17 pIC50 67250 nM IC50 J. Med. Chem. (2009) 52: 2818-2824 [PMID:19378991]
ChEMBL Inhibition of human recombinant MAOA by fluorimetric method B 4.17 pIC50 67250 nM IC50 J. Med. Chem. (2008) 51: 6740-6751 [PMID:18834112]
ChEMBL Inhibition of human recombinant MAOA expressed in BTI cells B 4.17 pIC50 67250 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 5053-5055 [PMID:19628387]
ChEMBL Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells by para-tyramine oxidation assay B 4.17 pIC50 67250 nM IC50 Bioorg. Med. Chem. (2010) 18: 1273-1279 [PMID:20045650]
ChEMBL Inhibition of human recombinant MAOA B 4.17 pIC50 67250 nM IC50 Eur. J. Med. Chem. (2010) 45: 800-804 [PMID:19926363]
ChEMBL Inhibition of human MAOA by fluorimetry B 4.17 pIC50 67250 nM IC50 Bioorg. Med. Chem. (2010) 18: 5715-5723 [PMID:20615716]
ChEMBL Inhibition of human MAOA expressed in BTI insect cells B 4.17 pIC50 67250 nM IC50 Bioorg. Med. Chem. Lett. (2010) 20: 5157-5160 [PMID:20659799]
ChEMBL Inhibition of human recombinant MAOA expressed in baculovirus infected insect BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine by amplex red assay B 4.17 pIC50 67250 nM IC50 J. Med. Chem. (2010) 53: 6516-6520 [PMID:20715818]
ChEMBL Inhibition of human recombinant MAOA expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as hydrogen peroxide production from p-tyramine by amplex red assay B 4.17 pIC50 67250 nM IC50 Bioorg. Med. Chem. (2010) 18: 5063-5070 [PMID:20579890]
ChEMBL Inhibition of human recombinant MAOA expressed in baculovirus infected BTI insect cells assessed as hydrogen peroxide production after 15 mins by Amplex red assay B 4.17 pIC50 67250 nM IC50 Eur. J. Med. Chem. (2010) 45: 4490-4498 [PMID:20702005]
ChEMBL Inhibition of human recombinant microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells using p-tyramine as substrate assessed as reduction in H2O2 production preincubated for 15 mins followed by substrate addition measured for 15 mins Amplex red dye based fluorimetric method B 4.17 pIC50 67250 nM IC50 Eur. J. Med. Chem. (2016) 117: 292-300 [PMID:27135371]
ChEMBL Inhibition of recombinant human MAOA using kynuramine as substrate assessed as decrease in formation of 4-hydroxyquinoline incubated for 20 mins by fluorescence assay B 4.17 pIC50 67250 nM IC50 MedChemComm (2016) 7: 1628-1639
ChEMBL Inhibition of human recombinant MAOA assessed as reduction in H2O2 production from p-tyramine incubated for 15 mins by Amplex red reagent based fluorimetric method B 4.17 pIC50 67250 nM IC50 J Nat Prod (2017) 80: 798-804 [PMID:28368606]
ChEMBL Inhibition of recombinant human MAO-A using kynuramine as substrate after 20 mins by fluorescence assay B 4.17 pIC50 67250 nM IC50 Eur J Med Chem (2018) 143: 1543-1552 [PMID:29126727]
ChEMBL Inhibition of human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 15 mins B 4.2 pIC50 63600 nM IC50 J. Med. Chem. (2014) 57: 10455-10463 [PMID:25418133]
ChEMBL Inhibition of recombinant human microsomal MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured over 20 mins by amplex red reagent-based horseradish peroxidase-coupled fluorometric assay B 4.2 pIC50 62663.8 nM IC50 J Med Chem (2020) 63: 1361-1387 [PMID:31917923]
ChEMBL Inhibition of recombinant human MAOA using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate addition by fluorometric analysis B 4.22 pIC50 >60000 nM IC50 Eur. J. Med. Chem. (2015) 103: 185-190 [PMID:26352677]
ChEMBL Inhibition of human recombinant MAOA using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 1 hr by horse-radish peroxidase/amplex red-based fluorometric method B 4.26 pIC50 55400 nM IC50 Eur J Med Chem (2016) 121: 864-879 [PMID:26471320]
ChEMBL Inhibition of human recombinant MAO-A expressed in insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition measured for 15 mins by resorufin dye-based fluorescence assay B 4.26 pIC50 54350 nM IC50 Bioorg Med Chem Lett (2019) 29: 1012-1018 [PMID:30792039]
ChEMBL Inhibition of human recombinant MAOA B 4.32 pIC50 47900 nM IC50 J. Med. Chem. (2015) 58: 6710-6715 [PMID:26278660]
ChEMBL Inhibition of human MAO-A expressed in baculovirus infected insect cell membranes using kynuramine as substrate after 15 to 20 mins by discontinuous fluorimetric method B 4.52 pIC50 >30000 nM IC50 Eur J Med Chem (2018) 148: 487-497 [PMID:29477889]
ChEMBL Inhibition of human microsomal MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate preincubated with substrate for 10 mins followed by enzyme addition by spectrophotometric analysis B 4.7 pIC50 20100 nM IC50 Eur J Med Chem (2020) 185: 111770-111770 [PMID:31711793]
ChEMBL Activity Assay: Inhibitory activity of compounds was evaluated by a homogeneous luminescent method, the MAO-Glo Assay (Promega), measuring the monoamine oxidase activity (MAOs) from recombinant source (microsomes from baculovirus infected insect cells, Sigma). Experiments were performed according to the Supplier's procedure, incubating human recombinant MAO-A or MAO-B with a luminogenic substrate, a derivative of beetle luciferin ((4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid). MAOs converts this luciferin derivative to methyl ester luciferin and only compounds that interfere with the ability of the enzyme to use the pro-luminescent substrate will cause changes in the resulting luminescent signal. B 4.72 pIC50 19100 nM IC50 US-8633208-B2. 6-1H-imidazo-quinazoline and quinolines derivatives, new MAO inhibitors and imidazoline receptor ligands (2014)
ChEMBL DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) B 5.53 pIC50 2984 nM IC50 DrugMatrix in vitro pharmacology data
ChEMBL Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using tyramine as substrate preincubated for 1 hr followed by substrate addition and measured after 30 mins by resazurin dye-based fluorescence assay B 5.68 pIC50 2089 nM IC50 J Med Chem (2018) 61: 7043-7064 [PMID:30016860]
ChEMBL Inhibition of human recombinant MAO-A preincubated for 30 mins followed by p-tyramine hydrochloride addition measured after 30 mins by Amplex red fluorescence based spectrophotometry B 5.7 pIC50 2000 nM IC50 Bioorg Med Chem (2016) 24: 4835-4854 [PMID:27396685]
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 5.77 pIC50 1700 nM IC50 Eur J Med Chem (2017) 130: 365-378 [PMID:28273563]
ChEMBL Inhibition of recombinant human MAO-A using p-tyramine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by amplex red reagent based spectrophotometric assay B 5.82 pIC50 1500 nM IC50 Bioorg Med Chem (2018) 26: 232-244 [PMID:29198609]
ChEMBL Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 mins and measured after 45 mins by resorufin-based fluorescence assay B 5.85 pIC50 1424 nM IC50 Eur J Med Chem (2019) 162: 793-809 [PMID:30522087]
ChEMBL Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells assessed as decrease in H2O2 production using p-tyramine as substrate incubated for 20 mins by horse-radish peroxidase/amplex red-based fluorescence method B 5.85 pIC50 1424 nM IC50 Eur J Med Chem (2019) 179: 404-422 [PMID:31265934]
ChEMBL Inhibition of MAOA B 5.92 pIC50 1200 nM IC50 J. Med. Chem. (2008) 51: 347-372 [PMID:18181565]
ChEMBL Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine after 15 mins by microplate fluorescence assay B 7.17 pIC50 67.25 nM IC50 Eur. J. Med. Chem. (2011) 46: 4846-4852 [PMID:21872365]
Monoamine oxidase A in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3254] [UniProtKB: P21398]
ChEMBL Inhibitory activity against monoamine oxidase A in isolated bovine brain mitochondria B 4.42 pKi 38000 nM Ki J. Med. Chem. (2003) 46: 917-920 [PMID:12620068]
ChEMBL Inhibition of bovine brain mitochondria MAOA by fluorometric assay B 5.42 pKi 3800 nM Ki J. Med. Chem. (2007) 50: 922-931 [PMID:17256833]
ChEMBL Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay B 5.42 pKi 3800 nM Ki Bioorg. Med. Chem. (2008) 16: 9729-9740 [PMID:18951803]
ChEMBL Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorometric assay B 5.42 pKi 3800 nM Ki J. Med. Chem. (2012) 55: 10424-10436 [PMID:23153282]
ChEMBL Inhibition of MAO-A in bovine brain mitochondria by fluorimetric method B 4.42 pIC50 38018.94 nM IC50 J. Med. Chem. (2007) 50: 425-428 [PMID:17266193]
ChEMBL Inhibition of bovine mitochondrial MAOA B 4.42 pIC50 38018.94 nM IC50 Eur. J. Med. Chem. (2008) 43: 2262-2267 [PMID:18281126]
Monoamine oxidase A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3358] [UniProtKB: P21396]
ChEMBL Competitive inhibition of MAOA in rat liver homogenate after 60 mins by Lineweaver-Burke plot analysis B 3.98 pKi 105660 nM Kic Bioorg. Med. Chem. (2010) 18: 1875-1881 [PMID:20149663]
ChEMBL Inhibitory concentration for rat Monoamine oxidase A B 4.42 pKi 38000 nM Ki J. Med. Chem. (2005) 48: 4220-4223 [PMID:15974574]
ChEMBL Inhibition of MAO-A in rat liver homogenate after 60 mins by Lineweaver-Burke plot B 4.8 pKi 15700 nM Ki Bioorg. Med. Chem. (2009) 17: 675-689 [PMID:19091581]
ChEMBL Competitive inhibition of rat liver MAO-A after 60 mins using p-tyramine as substrate by spectrophotometry B 4.98 pKi 10566 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 1969-1973 [PMID:21377879]
ChEMBL Inhibition of MAO-A in Sprague-Dawley rat brain homogenate using kynuramine as substrate preincubated for 10 mins measured by fluorimetric assay B 4 pIC50 >100000 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 3343-3348 [PMID:22475561]
ChEMBL Competitive inhibition of MAOA in rat liver homogenate by spectrophotometrically B 4.04 pIC50 90550 nM IC50 Bioorg. Med. Chem. (2009) 17: 6761-6772 [PMID:19682910]
ChEMBL Inhibition of Monoamine oxidase A of rat liver mitochondrial membranes B 5.42 pIC50 3800 nM IC50 J. Med. Chem. (1992) 35: 3705-3713 [PMID:1433183]
ChEMBL Displacement of [3H]-Ro 41-1049 from MAO-A receptor in rat cerebral cortex B 5.92 pIC50 1202.26 nM IC50 J. Med. Chem. (2012) 55: 3242-3249 [PMID:22385498]
ChEMBL In vitro inhibitory concentration against Monoamine oxidase A of rat brain homogenates; value ranges from 1.1-1.3 B 5.92 pIC50 1200 nM IC50 J. Med. Chem. (2002) 45: 5260-5279 [PMID:12431053]
ChEMBL Inhibition of Sprague-Dawley rat liver MAO-A using p-tyramine as substrate preincubated for 15 mins and measured after 45 mins by resorufin-based fluorescence assay B 6.01 pIC50 969 nM IC50 Eur J Med Chem (2019) 162: 793-809 [PMID:30522087]
ChEMBL In vitro inhibitory activity on rat brain by monoamine oxidase A (MAO-A) B 6.1 pIC50 800 nM IC50 J. Med. Chem. (1993) 36: 1157-1167 [PMID:8487255]
ChEMBL Compound was evaluated for the time-dependence inhibition of MAO-A at 60 minutes of preincubated period. values are same with or without pre-incubation B 6.15 pIC50 700 nM IC50 J. Med. Chem. (1993) 36: 1157-1167 [PMID:8487255]
ChEMBL In vitro ability to inhibit Monoamine oxidase A activity in rat whole brain in vitro B 6.29 pIC50 516 nM IC50 Bioorg. Med. Chem. Lett. (2001) 11: 2715-2717 [PMID:11591508]
ChEMBL Inhibition of MAO-A in rat liver homogenate using [14C]-5HT as substrate preincubated for 30 mins followed by substrate addition measured after 20 mins by liquid scintillation counting analysis B 7.7 pIC50 20 nM IC50 Eur. J. Med. Chem. (2014) 80: 543-561 [PMID:24813882]
ChEMBL Inhibition of MAO-A in rat whole brain homogenate in presence of selegiline B 7.74 pIC50 18 nM IC50 Bioorg. Med. Chem. (2015) 23: 770-778 [PMID:25600407]
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
ChEMBL Binding affinity to human recombinant microsomal MAO-B by ITC B 7.23 pKd 58.9 nM Kd Bioorg. Med. Chem. (2015) 23: 770-778 [PMID:25600407]
ChEMBL Irreversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by Michaelis-Menten equation analysis B 5.25 pKi 5680 nM Ki J Med Chem (2020) 63: 1361-1387 [PMID:31917923]
ChEMBL Competitive inhibition of human recombinant MAO-B after 60 mins using p-tyramine as substrate by spectrophotometry B 5.71 pKi 1960 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 1969-1973 [PMID:21377879]
GtoPdb - - 6 pKi 970 nM Ki J Med Chem (2005) 48: 4220-3 [PMID:15974574];
Bioorg Med Chem Lett (2011) 21: 1969-73 [PMID:21377879]
ChEMBL Inhibitory concentration for human Monoamine oxidase B B 6.01 pKi 970 nM Ki J. Med. Chem. (2005) 48: 4220-4223 [PMID:15974574]
ChEMBL Inhibition constant against human recombinant Monoamine oxidase-B B 6.01 pKi 970 nM Ki Bioorg. Med. Chem. Lett. (2005) 15: 4438-4446 [PMID:16137882]
ChEMBL Reversible inhibition of recombinant human MAOB expressed in Pichia pastoris using varying levels of kynuramine as substrate measured after 5 mins by Michaelis-Menten equation analysis B 6.01 pKi 970 nM Ki J Med Chem (2020) 63: 1361-1387 [PMID:31917923]
ChEMBL Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate addition measured for 15 mins by amplex red assay B 6.42 pKi 380 nM Ki ACS Med. Chem. Lett. (2016) 7: 56-61 [PMID:26819666]
ChEMBL Inhibition of recombinant human MAO-B assessed as reduction in H2O2 production preincubated for 30 mins followed by p-tyramine substrate addition measured after 30 mins by amplex red reagent based fluorescence assay B 6.59 pKi 255 nM Ki MedChemComm (2018) 9: 1164-1171
ChEMBL Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins B 7.04 pKi 91 nM Ki Bioorg. Med. Chem. Lett. (2011) 21: 4296-4300 [PMID:21680183]
ChEMBL Competitive reversible inhibition of human recombinant MAO-B expressed in baculovirus infected BT1 insect cells using p-tyramine as substrate assessed as H2O2 production after 15 mins by fluorimetric analysis B 7.05 pKi 90 nM Ki Eur. J. Med. Chem. (2013) 69: 762-767 [PMID:24099995]
ChEMBL Irreversible inhibition of recombinant human MAO-B expressed in baculovirus infected BT1 cells using benzylamine as substrate at 200 uM preincubated for 30 mins by Lineweaver-Burk plot analysis B 7.26 pKi 55 nM Ki Eur. J. Med. Chem. (2013) 70: 88-101 [PMID:24140951]
ChEMBL Inhibition of recombinant human MAOB using kynuramine as substrate assessed as decrease in formation of 4-hydroxyquinoline incubated for 20 mins by fluorescence assay B 8.05 pKi 9 nM Ki MedChemComm (2016) 7: 1628-1639
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 8.41 pKi 3.9 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 8.48 pKi 3.3 nM Ki Bioorg. Med. Chem. (2015) 23: 770-778 [PMID:25600407]
ChEMBL Inhibition of human MAOB expressed in BTI insect cells B 4.71 pIC50 19600 nM IC50 Bioorg. Med. Chem. Lett. (2010) 20: 5157-5160 [PMID:20659799]
ChEMBL Inhibition of human recombinant MAOB B 4.71 pIC50 19600 nM IC50 Eur. J. Med. Chem. (2010) 45: 800-804 [PMID:19926363]
ChEMBL Inhibition of human MAOB by fluorimetry B 4.71 pIC50 19600 nM IC50 Bioorg. Med. Chem. (2010) 18: 5715-5723 [PMID:20615716]
ChEMBL Inhibition of recombinant human MAO-B assessed as production of hydrogen peroxide from p-tyramine after 15 mins by Amplex Red assay B 4.83 pIC50 14800 nM IC50 MedChemComm (2012) 3: 213-218
ChEMBL Inhibition of MAO-B (unknown origin) using p-tyramine substrate by HPLC method B 4.96 pIC50 10960 nM IC50 Bioorg. Med. Chem. (2013) 21: 7890-7897 [PMID:24169316]
ChEMBL Inhibition Assay: A stock solution was prepared using a human MAO-B enzyme (purchased from Aldrich) and a Amplex Red monoamine oxidase assay kit according to a preparation manual. The kit includes a 5x reaction buffer, an Amplex red reagent (1 mg), HRP, DMSO, H2O2, p-tyramine (substrate of MAO-A, B), benzylamine (substrate of MAO-B), clorgiline (inhibitor of MAO-A), and pargyline (inhibitor of MAO-B). Among these reagents in the kit, benzylamine was used as a substrate for MAO-B, and pargyline was used as an MAO-B inhibitor. A solution as overall substrates was prepared as follows. 200 ul of a solution of 1 mg of Amplex red sufficiently dissolved in 200 ul of DMSO, 100 ul of a mixed solution of HRP and 1 ml of a 1x buffer, 200 ul of a solution of benzylamine dissolved in 1.2 ml of dH2O were added to 9.5 ml of a 1x buffer to reach a total volume of 10 mL, which is sufficient for 100 wells. 0.5 ul of a mixture of MAO-B inhibitor pargyline and 1 ml of dH2O was put into each well. First, the activity of MAO-B was determined using 10 uM of the synthesized compound.  96 wells were injected with positive and negative types, and the wile type. The positive type included only substrate and hydrogen peroxide, and the negative type included only substrate. For the wild type, corresponding wells were injected with the enzyme, substrate, and MAO-B inhibitor, but with no synthesized compound. Afterward, 2 ul of the synthesized compound (1 mM) was added into each well, and the human MAO-B enzyme was put only into the 1st row of wells. 0.5 ug of the human MAO-B was put into each well along with 100 ul of a 1x buffer. The human MAO-B enzyme was put into the 2nd row of the wells along with 0.5 ul of a pargyline, the MAO-B inhibitor. To reduce an experimental error for accuracy, the test was repeated three times for each compound. After 30 minutes, 100 ul of the substrate solution was added into each well in a darkroom. The test was performed in the darkroom due to light sensitivity of the Amplex reagent. Finally, a total volume of the reaction solution per well reached 200 ul. After about 2 to 3 hours, chromophoric degrees of the samples were measured. A variation in data values for the 1st and 2nd rows of the wells indicates the pure reaction activity of the MAO-B enzyme with the substrate. Using the samples with the synthesized compound the remaining activity of MAO-B after inhibited by the synthesized compound may be determined. This is because the activities of the other enzymes excluding the MAO-B enzyme may be excluded through this method. Compounds with high inhibitory activity at a concentration of 10 uM were screened from among the synthesized compounds at a compound concentration of 10 uM. Afterward, concentration-dependent IC50 values of these compounds may be obtained through an activity assay at different concentrations of 0.001 uM, 0.01 uM, 0.1 uM, 1 uM, and 10 uM. B 5.01 pIC50 9700 nM IC50 US-9469653-B2. Pharmaceutical compositions for preventing or treating degenerative brain disease and method of screening the same (2016)
ChEMBL Inhibition of recombinant human MAOB using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate addition by fluorometric analysis B 5.54 pIC50 2890 nM IC50 Eur. J. Med. Chem. (2015) 103: 185-190 [PMID:26352677]
ChEMBL Inhibition of human recombinant MAO-B using p-tyramine as substrate assessed as production of H2O2 incubated for 15 mins prior to substrate addition measured after 20 mins by microplate fluorescence reader analysis B 5.55 pIC50 2820 nM IC50 Bioorg. Med. Chem. (2015) 23: 515-525 [PMID:25541201]
ChEMBL Activity Assay: Inhibitory activity of compounds was evaluated by a homogeneous luminescent method, the MAO-Glo Assay (Promega), measuring the monoamine oxidase activity (MAOs) from recombinant source (microsomes from baculovirus infected insect cells, Sigma). Experiments were performed according to the Supplier's procedure, incubating human recombinant MAO-A or MAO-B with a luminogenic substrate, a derivative of beetle luciferin ((4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid). MAOs converts this luciferin derivative to methyl ester luciferin and only compounds that interfere with the ability of the enzyme to use the pro-luminescent substrate will cause changes in the resulting luminescent signal. B 6.32 pIC50 480 nM IC50 US-8633208-B2. 6-1H-imidazo-quinazoline and quinolines derivatives, new MAO inhibitors and imidazoline receptor ligands (2014)
ChEMBL Inhibition of human MAOB after 1 hr by luminescence assay B 6.48 pIC50 334 nM IC50 J. Med. Chem. (2013) 56: 1247-1261 [PMID:23281824]
ChEMBL Inhibition of recombinant human microsomal MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate assessed as H2O2 production pretreated for 15 mins followed by addition of Amplex Red, horseradish peroxidase and substrate measured for 15 mins by fluorimetric method B 6.49 pIC50 321 nM IC50 Bioorg. Med. Chem. (2016) 24: 1741-1748 [PMID:26964672]
ChEMBL Inhibition of human recombinant MAOB B 6.57 pIC50 270 nM IC50 J. Med. Chem. (2015) 58: 6710-6715 [PMID:26278660]
ChEMBL Inhibition of MAOB (unknown origin) using beetle luciferin as substrate by MAO-Glo assay B 7.03 pIC50 94 nM IC50 Eur J Med Chem (2017) 140: 392-402 [PMID:28987602]
ChEMBL Inhibition of human recombinant MAO-B expressed in insect cells assessed as inhibition of kynuramine oxidation after 30 mins by fluorescence assay B 7.07 pIC50 85.2 nM IC50 J. Med. Chem. (2011) 54: 7023-7029 [PMID:21923198]
ChEMBL Inhibition of human recombinant MAO-B expressed in insect cells microsomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry analysis B 7.1 pIC50 79 nM IC50 Bioorg Med Chem Lett (2019) 29: 126677-126677 [PMID:31537422]
ChEMBL Inhibition of recombinant human MAO-B using kynuramine as substrate by fluorescence spectroscopy B 7.1 pIC50 79 nM IC50 Eur J Med Chem (2017) 135: 196-203 [PMID:28456030]
ChEMBL Inhibition of human recombinant MAOB expressed in insect cell microsomes using kynuramine as substrate after 20 mins by fluorescence spectrophotometric analysis B 7.1 pIC50 79 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 7367-7370 [PMID:23122857]
ChEMBL Inhibition of recombinant human MAO-B using kynuramine as substrate after 20 mins by fluorescence spectrophotometric analysis B 7.1 pIC50 79 nM IC50 Bioorg Med Chem (2018) 26: 5531-5537 [PMID:30279044]
ChEMBL Inhibition of MAO-B (unknown origin) B 7.1 pIC50 79 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 5498-5502 [PMID:24012182]
ChEMBL Inhibition of human recombinant monoamine oxidase-B assessed as kynuramine conversion to 6-hydroxyquinoline after 20 mins by fluorescence spectrophotometric analysis B 7.1 pIC50 79 nM IC50 Bioorg. Med. Chem. Lett. (2013) 23: 1269-1273 [PMID:23374869]
ChEMBL Inhibition of MAO-B (unknown origin) using (4S)-4,5-dihydro-2-(6-hydroxybenzothiazolyl)-4-thiazolecarboxylic acid as substrate by MAO-Glo assay B 7.15 pIC50 71 nM IC50 Bioorg Med Chem (2018) 26: 6000-6014 [PMID:30448189]
ChEMBL Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured over 15 mins by Amplex red reagent/horseradish peroxidase coupled fluorescence assay B 7.22 pIC50 60 nM IC50 Bioorg Med Chem Lett (2019) 29: 1090-1093 [PMID:30833108]
ChEMBL Inhibition of recombinant human MAO-B assessed as inhibition of kynuramine oxidation by spectrophotometry B 7.25 pIC50 56 nM IC50 Bioorg. Med. Chem. (2013) 21: 186-195 [PMID:23211968]
ChEMBL Inhibition of MAOB B 7.32 pIC50 48 nM IC50 J. Med. Chem. (2008) 51: 4150-4169 [PMID:18588282]
ChEMBL Inhibition of human recombinant MAO-B using kynuramine as substrate preincubated with compound for 15 mins measured after 20 mins by fluorometric analysis B 7.35 pIC50 45 nM IC50 Bioorg. Med. Chem. Lett. (2012) 22: 4926-4929 [PMID:22781190]
ChEMBL Inhibition of human MAO-B using tyramine hydrochloride as substrate after 30 mins by Amplex Red reagent based horseradish peroxidase enzyme-coupled fluorescence assay B 7.36 pIC50 44 nM IC50 Eur J Med Chem (2018) 144: 68-81 [PMID:29248751]
ChEMBL Inhibition of human MAO-B expressed in baculovirus infected insect cell membranes using kynuramine as substrate after 15 to 20 mins by discontinuous fluorimetric method B 7.38 pIC50 42 nM IC50 Eur J Med Chem (2018) 148: 487-497 [PMID:29477889]
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 7.4 pIC50 40 nM IC50 Eur J Med Chem (2017) 131: 92-106 [PMID:28301816]
ChEMBL Inhibition of human microsomal MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate preincubated with substrate for 10 mins followed by enzyme addition by spectrophotometric analysis B 7.41 pIC50 38.6 nM IC50 Eur J Med Chem (2020) 185: 111770-111770 [PMID:31711793]
ChEMBL Inhibition of human MAOB using p-tyramine as substrate after 15 mins by Amplex Red MAO assay B 7.45 pIC50 35.6 nM