phenelzine [Ligand Id: 7266] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1089 (Nardil, Phenelzine)
  • amine oxidase copper containing 3/Amine oxidase, copper containing in Human [ChEMBL: CHEMBL3437] [GtoPdb: 2767] [UniProtKB: Q16853]
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  • indoleamine 2,3-dioxygenase 1/Indoleamine 2,3-dioxygenase in Human [ChEMBL: CHEMBL4685] [GtoPdb: 2829] [UniProtKB: P14902]
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  • lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341]
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  • NET in Human [GtoPdb: 926] [UniProtKB: P23975]
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  • DAT in Human [GtoPdb: 927] [UniProtKB: Q01959]
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  • SERT in Human [GtoPdb: 928] [UniProtKB: P31645]
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  • CYP2C8 in Human [GtoPdb: 1325] [UniProtKB: P10632]
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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]
GtoPdb - - 7.7 pIC50 19.95 nM IC50 J Med Chem (2010) 53: 6301-15 [PMID:20690686]
ChEMBL Inhibition of human recombinant VAP-1 expressed in CHO cells after 30 mins by coupled colorimetric method B 7.7 pIC50 19.95 nM IC50 J. Med. Chem. (2010) 53: 6301-6315 [PMID:20690686]
CYP2C19/Cytochrome P450 2C19 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3622] [GtoPdb: 1328] [UniProtKB: P33261]
ChEMBL DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) B 6.1 pIC50 800 nM IC50 DrugMatrix in vitro pharmacology data
CYP2C9/Cytochrome P450 2C9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3397] [GtoPdb: 1326] [UniProtKB: P11712]
ChEMBL DRUGMATRIX: CYP450, 2C9 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) B 5.4 pIC50 4000 nM IC50 DrugMatrix in vitro pharmacology data
CYP2D6/Cytochrome P450 2D6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL289] [GtoPdb: 1329] [UniProtKB: P10635]
ChEMBL DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) B 6 pIC50 1000 nM IC50 DrugMatrix in vitro pharmacology data
CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684]
ChEMBL DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) B 5.7 pIC50 2000 nM IC50 DrugMatrix in vitro pharmacology data
indoleamine 2,3-dioxygenase 1/Indoleamine 2,3-dioxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4685] [GtoPdb: 2829] [UniProtKB: P14902]
ChEMBL Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 60 mins by HPLC B 4.85 pIC50 14000 nM IC50 Eur. J. Med. Chem. (2014) 84: 284-301 [PMID:25036789]
lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341]
ChEMBL Inhibition of LSD1 B 4.74 pKi 18000 nM Ki J. Med. Chem. (2011) 54: 8236-8250 [PMID:21955276]
ChEMBL Inhibition of LSD1 B 4.75 pKi 17600 nM Ki Bioorg. Med. Chem. (2011) 19: 3625-3636 [PMID:21596573]
ChEMBL Inhibition of LSD1 (unknown origin) B 5.25 pKi 5600 nM Ki Eur J Med Chem (2017) 125: 940-951 [PMID:27769034]
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL Mixed-type inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrate after 20 mins by Lineweaver-Burk plot analysis B 6.79 pKi 163 nM Ki J Nat Prod (2016) 79: 2538-2544 [PMID:27754693]
GtoPdb - - 7.33 pKi 47 nM Ki Biochemistry (2008) 47: 5616-25 [PMID:18426226]
ChEMBL Inhibition of recombinant human MAO-A assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometric assay B 6.62 pIC50 238 nM IC50 J Nat Prod (2016) 79: 2538-2544 [PMID:27754693]
ChEMBL DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) B 6.84 pIC50 146 nM IC50 DrugMatrix in vitro pharmacology data
Monoamine oxidase A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3358] [UniProtKB: P21396]
ChEMBL In vitro ability to inhibit Monoamine oxidase A activity in rat whole brain in vitro B 7.52 pIC50 30 nM IC50 Bioorg. Med. Chem. Lett. (2001) 11: 2715-2717 [PMID:11591508]
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
ChEMBL Mixed-type inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using varying levels of kynuramine as substrate after 20 mins by Lineweaver-Burk plot analysis B 6.91 pKi 124 nM Ki J Nat Prod (2016) 79: 2538-2544 [PMID:27754693]
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 7.03 pKi 94 nM Ki Bioorg. Med. Chem. (2015) 23: 770-778 [PMID:25600407]
GtoPdb - - 7.82 pKi 15 nM Ki Biochemistry (2008) 47: 5616-25 [PMID:18426226]
ChEMBL Inhibition of recombinant human MAO-B assessed as reduction in 4-hydroxyquinoline formation using kynuramine as substrate after 20 mins by fluorometric assay B 6.84 pIC50 143 nM IC50 J Nat Prod (2016) 79: 2538-2544 [PMID:27754693]
Monoamine oxidase B in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2993] [GtoPdb: 2490] [UniProtKB: P19643]
ChEMBL In vitro ability to inhibit Monoamine oxidase B activity in rat whole brain in vitro B 7.12 pIC50 76.3 nM IC50 Bioorg. Med. Chem. Lett. (2001) 11: 2715-2717 [PMID:11591508]
NET in Human [GtoPdb: 926] [UniProtKB: P23975]
GtoPdb - - 5 pKi >10000 nM Ki Eur J Pharmacol (1997) 340: 249-58 [PMID:9537821]
DAT in Human [GtoPdb: 927] [UniProtKB: Q01959]
GtoPdb - - 5.08 pKi 8400 nM Ki Eur J Pharmacol (1997) 340: 249-58 [PMID:9537821]
SERT in Human [GtoPdb: 928] [UniProtKB: P31645]
GtoPdb - - 5 pKi >10000 nM Ki Eur J Pharmacol (1997) 340: 249-58 [PMID:9537821]
CYP2C8 in Human [GtoPdb: 1325] [UniProtKB: P10632]
GtoPdb - - 5.14 pKi 7266 nM Ki Curr Drug Metab (2005) 6: 413-54 [PMID:16248836]

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]