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ChEMBL ligand: CHEMBL396778 (EMD 1195686, EMD-1195686, Safinamide, Xadago) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397] | ||||||||
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 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 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 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] |
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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 33:
Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
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]