methoxsalen [Ligand Id: 12457] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL416 (8-methoxsalen, 8-mop, Deltasoralen, Meladinine, Methoxsalen, METHOXSALEN COMPONENT OF SM-88, Metoxalen, NSC-45923, Oxsoralen, Oxsoralen-ultra, Oxypsoralen, Puvalen, Puvasoralen-8, Uvadex, Vitpso)
  • acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
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  • Monoamine oxidase A/Amine oxidase [flavin-containing] A in Human [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
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  • TAS2R20 in Human [GtoPdb: 671] [UniProtKB: P59543]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
ChEMBL Inhibition of AChE by spectrophotometry B 4.27 pIC50 54000 nM IC50 J Nat Prod (2001) 64: 683-685 [PMID:11374978]
ChEMBL Inhibition of acetylcholinesterase (unknown origin) using acetylcholine iodide as substrate preincubated for 15 mins prior to substrate addition by spectrophotometric analysis B 6.12 pIC50 760 nM IC50 Bioorg Med Chem Lett (2013) 23: 4248-4252 [PMID:23746477]
Monoamine oxidase A/Amine oxidase [flavin-containing] A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL Inhibition of MAO-A activity B 4.07 pIC50 85110 nM IC50 J Med Chem (2006) 49: 1149-1156 [PMID:16451079]
CYP1A2/Cytochrome P450 1A2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3356] [GtoPdb: 1319] [UniProtKB: P05177]
ChEMBL DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) B 7.4 pIC50 40 nM IC50 DrugMatrix in vitro pharmacology data
Tyrosinase in Agaricus bisporus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3318] [UniProtKB: O42713]
ChEMBL Activation of mushroom tyrosinase using L-tyrosine as substrate preincubated for 5 mins followed by substrate addition measured after 30 mins by ELISA B 4.83 pEC50 14800 nM EC50 Bioorg Med Chem (2016) 24: 5440-5448 [PMID:27622747]
TAS2R20 in Human [GtoPdb: 671] [UniProtKB: P59543]
GtoPdb - - 4.92 pEC50 12000 nM EC50 Molecules (2015) 20: 18907-22 [PMID:26501253]

ChEMBL data shown on this page come from version 36:

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]