safinamide [Ligand Id: 8291] 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: CHEMBL396778 (EMD 1195686, EMD-1195686, Safinamide, Xadago)
There should be some charts here, you may need to enable JavaScript!
There should be some charts here, you may need to enable JavaScript!
  • Nav1.7/Sodium channel protein type IX alpha subunit in Human [ChEMBL: CHEMBL4296] [GtoPdb: 584] [UniProtKB: Q15858]
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
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
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 3.65 pIC50 223500 nM IC50 Bioorg Med Chem Lett (2019) 29: 1012-1018 [PMID:30792039]
ChEMBL Inhibition of human recombinant MAO-A using pargyline as incubated for 20 mins measuring increase in emission signal at 310 nm multimode plate reader assay B 4 pIC50 100000 nM IC50 Bioorg Med Chem (2021) 42: 116255-116255 [PMID:34119696]
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 4 pIC50 >100000 nM IC50 Bioorg Med Chem (2018) 26: 232-244 [PMID:29198609]
ChEMBL Inhibition of recombinant human MAOA using p-tyramine as substrate after 30 mins by Amplex red based spectrophotometric analysis B 4 pIC50 >100000 nM IC50 Bioorg. Med. Chem. (2015) 23: 6486-6496 [PMID:26337020]
ChEMBL Inhibition of recombinant human MAO-A expressed in Sf9 cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition for 60 mins by Luminex assay B 4.17 pIC50 67410 nM IC50 J Med Chem (2020) 63: 15021-15036 [PMID:33210537]
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 4.3 pIC50 >50000 nM IC50 Eur J Med Chem (2018) 148: 487-497 [PMID:29477889]
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 4.3 pIC50 >50000 nM IC50 J Med Chem (2018) 61: 7043-7064 [PMID:30016860]
ChEMBL Inhibition of human brain MAO-A using [14C]-5- hydroxytryptamine creatinine disulphate substrate after 30 mins B 4.35 pIC50 45000 nM IC50 J. Med. Chem. (2014) 57: 6679-6703 [PMID:24955776]
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 4.59 pIC50 25900 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 4.59 pIC50 >25900 nM IC50 Eur J Med Chem (2019) 179: 404-422 [PMID:31265934]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured over 20 mins by horse-radish peroxidase/Amplex Red coupled fluorimetric analysis B 5 pIC50 >10000 nM IC50 Eur J Med Chem (2021) 209: 112911-112911 [PMID:33071056]
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 6.73 pKd 187.2 nM Kd Bioorg. Med. Chem. (2015) 23: 770-778 [PMID:25600407]
ChEMBL Inhibition of human recombinant MAOB expressed in Pichia pastoris B 6.35 pKi 450 nM Ki J. Med. Chem. (2007) 50: 5848-5852 [PMID:17915852]
GtoPdb - - 6.35 pKi 450 nM Ki J Med Chem (2004) 47: 1767-74 [PMID:15027868]
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 7.78 pKi 16.7 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 8.27 pKi 5.4 nM Ki Bioorg. Med. Chem. (2015) 23: 770-778 [PMID:25600407]
ChEMBL Inhibition of human recombinant MAO-B 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 8.64 pKi 2.29 nM Ki Eur J Med Chem (2019) 179: 404-422 [PMID:31265934]
ChEMBL Inhibition of human recombinant MAO-B 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 Cheng-Prusoff equation analysis B 8.64 pKi 2.29 nM Ki Eur J Med Chem (2019) 162: 793-809 [PMID:30522087]
ChEMBL Inhibition of recombinant human MAOB using kynuramine as substrate measured for 30 mins by fluorescence spectrophotometric assay B 4.6 pIC50 25300 nM IC50 Eur J Med Chem (2021) 213: 113183-113183 [PMID:33493825]
ChEMBL Inhibition of MAOB (unknown origin) B 6.35 pIC50 450 nM IC50 MedChemComm (2015) 6: 2146-2157
ChEMBL Inhibition of recombinant human MAO-B expressed in Sf9 cells using benzylamine as substrate preincubated for 15 mins followed by substrate addition for 60 mins by Luminex assay B 6.6 pIC50 249 nM IC50 J Med Chem (2020) 63: 15021-15036 [PMID:33210537]
ChEMBL Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by Amplex red based spectrophotometric analysis B 6.95 pIC50 112 nM IC50 Bioorg. Med. Chem. (2015) 23: 6486-6496 [PMID:26337020]
ChEMBL Inhibition of human MAO-B B 7.01 pIC50 98 nM IC50 Bioorg Med Chem Lett (2021) 43: 128051-128051 [PMID:33887441]
ChEMBL Inhibition of MAOB B 7.1 pIC50 80 nM IC50 Eur. J. Med. Chem. (2009) 44: 3584-3590 [PMID:19321235]
ChEMBL Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins measuring increase in emission signal at 400 nm multimode plate reader assay B 7.2 pIC50 63 nM IC50 Bioorg Med Chem (2021) 42: 116255-116255 [PMID:34119696]
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 7.28 pIC50 53 nM IC50 Eur J Med Chem (2018) 148: 487-497 [PMID:29477889]
ChEMBL Inhibition of recombinant human MAOB expressed in insect cell microsomes using kynuramine as substrate measured after 20 mins by fluorescence spectrophotometry B 7.32 pIC50 48 nM IC50 Bioorg Med Chem Lett (2019) 29: 40-46 [PMID:30455149]
ChEMBL Inhibition of human recombinant MAO-B using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometric analysis B 7.32 pIC50 48 nM IC50 Bioorg. Med. Chem. Lett. (2016) 26: 2214-2219 [PMID:27020523]
ChEMBL Inhibition of recombinant human MAO-B after 20 mins using 50 uM kynuramine as substrate by fluorescence spectrophotometry B 7.32 pIC50 48 nM IC50 Bioorg. Med. Chem. Lett. (2016) 26: 1200-1204 [PMID:26821818]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cell microsomes using kynuramine as substrate after 20 mins by fluorescence spectroscopy B 7.32 pIC50 48 nM IC50 Eur J Med Chem (2017) 135: 196-203 [PMID:28456030]
ChEMBL Inhibition of human recombinant MAO-B 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 7.41 pIC50 39 nM IC50 Bioorg Med Chem Lett (2019) 29: 1012-1018 [PMID:30792039]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using p-tyramine as substrate preincubated for 15 mins followed by substrate addition and measured over 20 mins by horse-radish peroxidase/Amplex Red coupled fluorimetric analysis B 7.54 pIC50 29 nM IC50 Eur J Med Chem (2021) 209: 112911-112911 [PMID:33071056]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins by spectrophotometric assay B 7.55 pIC50 28 nM IC50 Eur J Med Chem (2019) 161: 292-309 [PMID:30366255]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI-TN- 5B1-4 insect cells using kynuramine as substrate preincubated for 10 mins in presence of substrate followed by enzyme addition and measured every minute for 30 mins by spectrophotometry analysis B 7.6 pIC50 25.3 nM IC50 J Med Chem (2021) 64: 11169-11182 [PMID:34269579]
ChEMBL Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 insect cells using benzylamine as substrate preincubated for 1 hr followed by substrate addition and measured after 30 mins by resazurin dye-based fluorescence assay B 7.62 pIC50 24 nM IC50 J Med Chem (2018) 61: 7043-7064 [PMID:30016860]
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 7.64 pIC50 23.1 nM IC50 Eur J Med Chem (2020) 185: 111770-111770 [PMID:31711793]
ChEMBL Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production using p-tyramine as substrate after 15 mins by fluorescence assay B 7.64 pIC50 23.07 nM IC50 J Med Chem (2016) 59: 5879-5893 [PMID:27244485]
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 7.64 pIC50 23.07 nM IC50 J Med Chem (2017) 60: 7206-7212 [PMID:28753307]
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 7.64 pIC50 23 nM IC50 Eur J Med Chem (2018) 158: 781-800 [PMID:30245401]
ChEMBL Inhibition of human microsomal MAO-B expressed in recombinant baculovirus infected insect BTI-TN-5B1-4 cells assessed as reduction in H2O2 production using p-tyramine as substrate after 15 mins by fluorescence assay B 7.64 pIC50 22.91 nM IC50 J Med Chem (2016) 59: 5879-5893 [PMID:27244485]
ChEMBL Inhibition of human MAO-B expressed in baculovirus infected insect cell membranes using kynuramine as substrate preincubated for 30 mins followed by substrate addition measured after 15 to 20 mins by discontinuous fluorimetric method B 7.68 pIC50 21 nM IC50 Eur J Med Chem (2018) 148: 487-497 [PMID:29477889]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected insect cell microsomes using kynuramine as substrate measured after 30 mins by fluorescence based assay B 7.74 pIC50 18 nM IC50 Eur J Med Chem (2019) 161: 292-309 [PMID:30366255]
ChEMBL Inhibition of recombinant human MAO-B using benzylamine as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins by amplex red reagent based spectrophotometric assay B 7.77 pIC50 17 nM IC50 Bioorg Med Chem (2018) 26: 232-244 [PMID:29198609]
ChEMBL Inhibition of human brain MAO-B using [14C]-phenylethylamine substrate after 20 mins B 8.05 pIC50 9 nM IC50 J. Med. Chem. (2014) 57: 6679-6703 [PMID:24955776]
ChEMBL Reversible inhibition of human MAOB B 8.05 pIC50 9 nM IC50 Bioorg Med Chem Lett (2018) 28: 3596-3600 [PMID:30404719]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI cells using p-tyramine as substrate by fluorometric assay B 8.1 pIC50 8 nM IC50 Eur J Med Chem (2020) 207: 112743-112743 [PMID:32882609]
GtoPdb - - 8.11 pIC50 7.7 nM IC50 Bioorg Med Chem (2013) 21: 7435-52 [PMID:24139167]
ChEMBL Inhibition of human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by fluorescence-based Amplex Red MAO assay B 8.11 pIC50 7.7 nM IC50 Bioorg Med Chem Lett (2018) 28: 3596-3600 [PMID:30404719]
ChEMBL Inhibition of human MAO-B B 8.12 pIC50 7.67 nM IC50 Bioorg. Med. Chem. (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus-infected insect cells using p-tyramine as substrate incubated for 30 mins prior to substrate addition measured for 45 mins by amplex red reagent-based microplate fluorescence reader analysis B 8.12 pIC50 7.67 nM IC50 J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by fluorimetric analysis B 8.15 pIC50 7 nM IC50 Eur J Med Chem (2020) 208: 112765-112765 [PMID:32949963]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as reduction in H2O2 production using p-tyramine as substrate pretreated for 30 mins followed by substrate addition after 30 mins by Amplex red reagent based assay B 8.22 pIC50 6 nM IC50 Eur J Med Chem (2017) 130: 365-378 [PMID:28273563]
ChEMBL Inhibition of human recombinant MAO-B 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 8.29 pIC50 5.18 nM IC50 Eur J Med Chem (2019) 179: 404-422 [PMID:31265934]
ChEMBL Inhibition of human recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate B 8.29 pIC50 5.18 nM IC50 J. Med. Chem. (2014) 57: 6679-6703 [PMID:24955776]
ChEMBL Inhibition of human recombinant MAO-B 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 8.29 pIC50 5.13 nM IC50 Eur J Med Chem (2019) 162: 793-809 [PMID:30522087]
ChEMBL Inhibition of human recombinant MAO-B 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 8.29 pIC50 5.13 nM IC50 Eur J Med Chem (2019) 179: 404-422 [PMID:31265934]
ChEMBL Inhibition of human recombinant soluble MAO-B assessed as thermal shift after 20 mins by SYPRO orange staining-based fluorescence assay B 4.82 pEC50 15000 nM EC50 Bioorg. Med. Chem. (2015) 23: 770-778 [PMID:25600407]
Monoamine oxidase B in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2993] [GtoPdb: 2490] [UniProtKB: P19643]
ChEMBL Radioenzymatic Assay: The enzyme activity was assessed with a radioenzymatic assay using the substrate 14C-phenylethylamine (PEA) specific for MAO-B.The mitochondrial pellet (500 μg protein) was resuspended in 0.1 M phosphate buffer (pH 7.4). 200 μl of the suspension were added to a 50 μl solution of the test compound or buffer, and incubated for 30 min at 37° C. (preincubation) then the substrate (50 μl) was added. The incubation was carried out for 10 minutes at 37° C. (14C-PEA, 0.5 μM).The reaction was stopped by adding 0.2 ml of perchloric acid. After centrifugation, the deaminated metabolites were extracted with 3 ml of toluene and the radioactive organic phase containing the neutral and/or acidic metabolites formed as a result of MAO-B activity was measured by liquid scintillation spectrometry at 90% efficiency. B 7 pIC50 100 nM IC50 US-9051240-B2. Substituted 2-[2-(phenyl) ethylamino] alkaneamide derivatives and their use as sodium and/or calcium channel modulators (2015)
ChEMBL Inhibition of rat brain mitochondria MAOB by radioenzymatic assay B 7.01 pIC50 98 nM IC50 J. Med. Chem. (2007) 50: 4909-4916 [PMID:17824599]
ChEMBL Inhibition of rat brain MAO-B using [14C]-phenylethylamine substrate after 20 mins B 7.01 pIC50 98 nM IC50 J. Med. Chem. (2014) 57: 6679-6703 [PMID:24955776]
ChEMBL Inhibition of MAO-B in mitochondria-enriched Sprague-Dawley rat liver fractions using p-tyramine as substrate incubated for 30 mins prior to substrate addition measured for 45 mins by amplex red reagent-based microplate fluorescence reader analysis B 7.59 pIC50 25.8 nM IC50 J. Med. Chem. (2013) 56: 4580-4596 [PMID:23631427]
ChEMBL Inhibition of rat recombinant MAO-B expressed in baculovirus-infected insect cells using p-tyraimne substrate B 7.74 pIC50 18 nM IC50 J. Med. Chem. (2014) 57: 6679-6703 [PMID:24955776]
Nav1.7/Sodium channel protein type IX alpha subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4296] [GtoPdb: 584] [UniProtKB: Q15858]
ChEMBL Inhibition of tetrodotoxin-sensitive Na+ channel by patch-clamp electrophysiology B 4 pIC50 100000 nM IC50 J. Med. Chem. (2010) 53: 3756-3771 [PMID:20394379]
ChEMBL Inhibition of tetrodotoxin-sensitive Na+ channel at -50 mV membrane holding potential by patch-clamp electrophysiology B 4.48 pIC50 33000 nM IC50 J. Med. Chem. (2010) 53: 3756-3771 [PMID:20394379]

ChEMBL data shown on this page come from version 31:

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]