mofegiline [Ligand Id: 9754] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL489079 (Mofegiline)
  • amine oxidase copper containing 3/Amine oxidase, copper containing in Human [ChEMBL: CHEMBL3437] [GtoPdb: 2767] [UniProtKB: Q16853]
  • amine oxidase copper containing 3/Amine oxidase, copper containing in Mouse [ChEMBL: CHEMBL4727] [GtoPdb: 2767] [UniProtKB: O70423]
  • amine oxidase copper containing 3/Amine oxidase, copper containing in Rat [ChEMBL: CHEMBL4592] [GtoPdb: 2767] [UniProtKB: O08590]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
amine oxidase copper containing 3/Amine oxidase, copper containing in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3437] [GtoPdb: 2767] [UniProtKB: Q16853]
ChEMBL Inhibition of human SSAO/VAP1 measuring H2O2 production by Kitz and Wilson plot analysis B 5.79 pKi 1610 nM Ki Bioorg Med Chem Lett (2012) 22: 3935-3940 [PMID:22595173]
ChEMBL Recombinant SSAO/VAP-1 Inhibtion Assay: Briefly, HMEC cell expressing human SSAO/VAP-1 were grown in several 10 cm petri dishes, once the cells reached 100% confluency, cells were harvested and homogenates were prepared. Cells were washed twice with 5 mL of chilled HES buffer (20 mM HEPES, 1 mM EDTA, 250 mM sucrose, pH 7.4). HES buffer containing 1× protease inhibitor (Sigma Aldrich) and added and cells were incubated on ice for 3 min. Buffer was removed and cells were scraped and transferred to a centrifuge tube. Cell lysates were prepared by passing through 23 G needle for, 10 times and followed by 27 G needle for 10 times. Alternatively the cell lysates were prepared by using IKA Ultra-Turrax T 10 homogenizer for 3 min for every 10 mL of cell suspensions. Cells were then spun for 5 min at 300×g. The clear supernatant was transferred to new centrifuge tube and stored at −80 °C. until colorimetric assay was performed. Prior to the assay, 0.5 mM pargyline was added in order to inhibit any residue MAO activities. Briefly, 50 μL of cell lysate was incubated with test compounds for 30 min at 37 °C. Reaction mixtures were added and kinetic was read as described in detail in Example 5: Briefly, in a standard 96 well plate assay 50 μL of purified human SSAO/VAP-1 (0.25 μg/mL) in 0.1 M NaPO4 buffer (pH 7.4) was added into each well. Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 4-9 data points, typically in the micromolar or nanomolar range after incubation with human SSAO/VAP-1 for 30 min at 37 °C. After 30 min incubation, 50 μL of the reaction mixture containing 600 μM benzylamine (Sigma Aldrich), 120 μM Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 0.1 M NaPO4 buffer (pH 7.4) were added to the corresponding well. The fluorescence unit (RFU) was read every 2.5 min for 30 min at 37 °C. excitation 565 nm and emission 590 (Optima; BMG labtech). The slope of the kinetics for each well was calculated using MARS data analysis software (BMG labtech) and this value was used to deduce the IC50 value (Dotmatics). B 4.72 pIC50 19000 nM IC50 US-9302986-B2. Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof (2016)
ChEMBL Inhibition of human recombinant SSAO/VAP1 assessed as H2O2 production by Resorufin/Amplex Red assay B 7.7 pIC50 20 nM IC50 Bioorg Med Chem Lett (2012) 22: 3935-3940 [PMID:22595173]
GtoPdb Inhibition of recombinant hSSAO/VAP-1. - 7.74 pIC50 18 nM IC50 J Pharmacol Exp Ther (2013) 347: 365-74 [PMID:23943052]
amine oxidase copper containing 3/Amine oxidase, copper containing in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4727] [GtoPdb: 2767] [UniProtKB: O70423]
ChEMBL Inhibition of SSAO/VAP1 in mouse adipocytes measuring H2O2 production by Resorufin/Amplex Red assay B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2012) 22: 3935-3940 [PMID:22595173]
amine oxidase copper containing 3/Amine oxidase, copper containing in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4592] [GtoPdb: 2767] [UniProtKB: O08590]
ChEMBL Recombinant SSAO/VAP-1 Inhibition Assay in Rat Fat: Abdominal fat from BALB/c mice, Wistar or Sprague Dawley rats, which are tissues enriched with SSAO/VAP-1-were surgically removed. For every gram of animal abdominal fat tissue, 1 mL of 0.1 M NaPO4 buffer (pH 7.4) was added. Tissues were homogenized using IKA Ultra-Turrax T 10 homogenizer for 3 min, homogenate was centrifuged for 15 min at 3000×g. The middle layer (clear supernatant) was removed without disturbing the top layer (high fat content) or the debris on the bottom of the tube. SSAO/VAP-1 activity was determined by checking the fluorescent signal. Km/Vmax values were determined and the fat homogenate was aliquoted and stored at −80 °C until assays were performed. Assay was performed in a similar fashion as for human SSAO/VAP-1 (Example 5) except, the substrate (benzylamine) concentrations used for mouse fat homogenate and rat fat homogenate were 80 μM and 30 μM respectively: Briefly, in a standard 96 well plate assay 50 μL of purified human SSAO/VAP-1 (0.25 μg/mL) in 0.1 M NaPO4 buffer (pH 7.4) was added into each well. Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 4-9 data points, typically in the micromolar or nanomolar range after incubation with human SSAO/VAP-1 for 30 min at 37 °C. After 30 min incubation, 50 μL of the reaction mixture containing 600 μM benzylamine (Sigma Aldrich), 120 μM Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 0.1 M NaPO4 buffer (pH 7.4) were added to the corresponding well. The fluorescence unit (RFU) was read every 2.5 min for 30 min at 37 °C. excitation 565 nm and emission 590 (Optima; BMG labtech). The slope of the kinetics for each well was calculated using MARS data analysis software (BMG labtech) and this value was used to deduce the IC50 value (Dotmatics). B 5.22 pIC50 6000 nM IC50 US-9302986-B2. Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof (2016)
D-amino-acid oxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5485] [UniProtKB: P14920]
ChEMBL Inhibition of human DAO measuring H2O2 production by Resorufin/Amplex Red assay B 5 pIC50 >10000 nM IC50 Bioorg Med Chem Lett (2012) 22: 3935-3940 [PMID:22595173]
Diamine oxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2118] [UniProtKB: P19801]
ChEMBL DAO Inhibition Assay: Recombinant human DAO (2.4 μg/mL) was used as source of DAO enzyme activities. The assay was performed as described in the method for human SSAO/VAP-1 (Example 5) except the substrate used was 200 μM putrescine, and the control wells contained 10 μM aminoguanidine instead of Mofegiline: Briefly, in a standard 96 well plate assay 50 μL of purified human SSAO/VAP-1 (0.25 μg/mL) in 0.1 M NaPO4 buffer (pH 7.4) was added into each well. Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 4-9 data points, typically in the micromolar or nanomolar range after incubation with human SSAO/VAP-1 for 30 min at 37 °C. After 30 min incubation, 50 μL of the reaction mixture containing 600 μM benzylamine (Sigma Aldrich), 120 μM Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 0.1 M NaPO4 buffer (pH 7.4) were added to the corresponding well. The fluorescence unit (RFU) was read every 2.5 min for 30 min at 37 °C. excitation 565 nm and emission 590 (Optima; BMG labtech). The slope of the kinetics for each well was calculated using MARS data analysis software (BMG labtech) and this value was used to deduce the IC50 value (Dotmatics). B 5 pIC50 >10000 nM IC50 US-9302986-B2. Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof (2016)
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL Inhibition of human recombinant MAOA expressed in Pichia pastoris by kinetic assay B 5.96 pKi 1100 nM Ki J Med Chem (2008) 51: 8019-8026 [PMID:19053775]
ChEMBL Inhibition of human recombinant MAO-A assessed as H2O2 production by Resorufin/Amplex Red assay B 5.75 pIC50 1780 nM IC50 Bioorg Med Chem Lett (2012) 22: 3935-3940 [PMID:22595173]
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
ChEMBL Inhibition of human recombinant MAOB expressed in Pichia pastoris by kinetic assay B 7.55 pKi 28 nM Ki J Med Chem (2008) 51: 8019-8026 [PMID:19053775]
ChEMBL Inhibition of human recombinant MAO-B assessed as H2O2 production by Resorufin/Amplex Red assay B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2012) 22: 3935-3940 [PMID:22595173]
ChEMBL MAO-B Inhibition Assay: Recombinant human MAO-B (0.06 mg/mL; Sigma Aldrich) was used as source of MAO-B enzyme activities. The assay was performed in a similar way as for human SSAO/VAP-1 (Example 5) except, the substrate benzylamine was used at 100 μM. Briefly, in a standard 96 well plate assay 50 μL of purified human SSAO/VAP-1 (0.25 μg/mL) in 0.1 M NaPO4 buffer (pH 7.4) was added into each well. Test compounds were dissolved in DMSO and tested in a Concentration Response Curve (CRC) with 4-9 data points, typically in the micromolar or nanomolar range after incubation with human SSAO/VAP-1 for 30 min at 37 °C. After 30 min incubation, 50 μL of the reaction mixture containing 600 μM benzylamine (Sigma Aldrich), 120 μM Amplex Red (Sigma Aldrich) and 1.5 U/mL horseradish peroxidase (Sigma Aldrich) prepared in 0.1 M NaPO4 buffer (pH 7.4) were added to the corresponding well. The fluorescence unit (RFU) was read every 2.5 min for 30 min at 37 °C. excitation 565 nm and emission 590 (Optima; BMG labtech). The slope of the kinetics for each well was calculated using MARS data analysis software (BMG labtech) and this value was used to deduce the IC50 value (Dotmatics). B 8.3 pIC50 5 nM IC50 US-9302986-B2. Substituted 3-haloallylamine inhibitors of ASSAO and uses thereof (2016)
Monoamine oxidase B in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2993] [GtoPdb: 2490] [UniProtKB: P19643]
GtoPdb - - 8.44 pIC50 3.6 nM IC50 J Neural Transm Park Dis Dement Sect (1989) 1: 243-54 [PMID:2597310]
ChEMBL Inhibition of rat membrane MAOB B 8.44 pIC50 3.6 nM IC50 J Med Chem (2008) 51: 8019-8026 [PMID:19053775]

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]