safinamide [Ligand Id: 8291] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL396778 (EMD 1195686, EMD-1195686, Safinamide, Xadago)
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  • Nav1.7/Sodium channel protein type IX alpha subunit in Human [ChEMBL: CHEMBL4296] [GtoPdb: 584] [UniProtKB: Q15858]
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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 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 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 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 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 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 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 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 recombinant human MAO-A expressed in Sf9 cells preincubated for 15 min followed by addition of p-tyramine and measured after 60 min by Luminex assay B 4.55 pIC50 28065 nM IC50 Eur J Med Chem (2022) 228: 114025-114025 [PMID:34871839]
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]
ChEMBL Inhibition of human MAO-A B 7.52 pIC50 30 nM IC50 Bioorg Med Chem Lett (2022) 76: 128994-128994 [PMID:36162779]
Monoamine oxidase A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3358] [UniProtKB: P21396]
ChEMBL Inhibition of Sprague-Dawley rat MAO-A B 5.55 pIC50 2800 nM IC50 Bioorg Med Chem Lett (2022) 67: 128748-128748 [PMID:35472505]
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 recombinant human MAO-B B 5.09 pIC50 8160 nM IC50 Bioorg Med Chem Lett (2022) 76: 128994-128994 [PMID:36162779]
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 MAO-B expressed in Sf9 cells preincubated for 15 min followed by addition of benzylamine and measured after 60 min by Luminex assay B 6.79 pIC50 163 nM IC50 Eur J Med Chem (2022) 228: 114025-114025 [PMID:34871839]
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 B 7.22 pIC50 60 nM IC50 Eur J Med Chem (2020) 205: 112650-112650 [PMID:32920430]
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 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 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 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 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 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 human recombinant MAO-B assessed as reduction in 4-hydroxyquinoline level using kynuramine as a substrate preincubated for 5 mins followed by substrate addition by spectrofluorimetric analysis B 7.54 pIC50 29 nM IC50 RSC Med Chem (2022) 13: 873-883 [PMID:35923722]
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 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 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 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 human recombinant MAO-B expressed in supersomes assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate by spectrofluorimetric analysis B 7.74 pIC50 18 nM IC50 J Med Chem (2022) 65: 3962-3977 [PMID:35195417]
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 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 human MAO-B B 8.12 pIC50 7.67 nM IC50 Bioorg Med Chem (2013) 21: 7435-7452 [PMID:24139167]
ChEMBL Inhibition of human recombinant MAO-B using p-tyramine as substrate preincubated for 30 mins followed by substrate addition and measured after 1 hr by fluorometric analysis B 8.15 pIC50 7 nM IC50 Eur J Med Chem (2022) 236: 114329-114329 [PMID:35397400]
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 Inhibition of Sprague-Dawley rat MAO-B B 6.59 pIC50 260 nM IC50 Bioorg Med Chem Lett (2022) 67: 128748-128748 [PMID:35472505]
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 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]