magnolol [Ligand Id: 14021] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL180920 (Magnolol)
  • aldehyde dehydrogenase 2 family member/Aldehyde dehydrogenase in Human [ChEMBL: CHEMBL1935] [GtoPdb: 2595] [UniProtKB: P05091]
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  • CB1 receptor/Cannabinoid CB1 receptor in Human [ChEMBL: CHEMBL218] [GtoPdb: 56] [UniProtKB: P21554]
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  • CB2 receptor/Cannabinoid CB2 receptor in Human [ChEMBL: CHEMBL253] [GtoPdb: 57] [UniProtKB: P34972]
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  • GABAA receptor α1 subunit/GABAA receptor γ2 subunit/GABAA receptor β2 subunit/GABA-A receptor; alpha-1/beta-2/gamma-2 in Human [ChEMBL: CHEMBL2095172] [GtoPdb: 404414411] [UniProtKB: P14867P18507P47870]
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  • GABAA receptor α1 subunit/GABAA receptor β2 subunit/GABA-A receptor; GABA-A site (alpha1/beta2 interface) in Human [ChEMBL: CHEMBL1907597] [GtoPdb: 404411] [UniProtKB: P14867P47870]
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  • Peroxisome proliferator-activated receptor-β/δ/Peroxisome proliferator-activated receptor delta in Human [ChEMBL: CHEMBL3979] [GtoPdb: 594] [UniProtKB: Q03181]
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  • Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231]
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  • KCa1.1 in Human [GtoPdb: 380] [UniProtKB: Q12791]
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  • K2P1.1 in Human [GtoPdb: 513] [UniProtKB: O00180]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
aldehyde dehydrogenase 2 family member/Aldehyde dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1935] [GtoPdb: 2595] [UniProtKB: P05091]
ChEMBL Agonist activity at human recombinant ALDH2 measured after 1 hr B 4.24 pEC50 57900 nM EC50 Bioorg Med Chem Lett (2021) 43: 128045-128045 [PMID:33865968]
CB1 receptor/Cannabinoid CB1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL218] [GtoPdb: 56] [UniProtKB: P21554]
ChEMBL Displacement of [3H]CP55,940 from recombinant human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting B 5.5 pKi 3150 nM Ki ACS Med Chem Lett (2013) 4: 41-45 [PMID:24900561]
ChEMBL Partial agonist activity at recombinant human CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation at 100 uM after 5 mins by cAMP-competition binding assay relative to CP55,940 F 4.74 pEC50 18300 nM EC50 ACS Med Chem Lett (2013) 4: 41-45 [PMID:24900561]
CB2 receptor/Cannabinoid CB2 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL253] [GtoPdb: 57] [UniProtKB: P34972]
ChEMBL Displacement of [3H]CP55,940 from recombinant human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counting B 5.84 pKi 1440 nM Ki ACS Med Chem Lett (2013) 4: 41-45 [PMID:24900561]
ChEMBL Partial agonist activity at recombinant human CB2 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation at 100 uM after 5 mins by cAMP-competition binding assay relative to CP55,940 F 5.48 pEC50 3280 nM EC50 ACS Med Chem Lett (2013) 4: 41-45 [PMID:24900561]
GABAA receptor α1 subunit/GABAA receptor γ2 subunit/GABAA receptor β2 subunit/GABA-A receptor; alpha-1/beta-2/gamma-2 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2095172] [GtoPdb: 404414411] [UniProtKB: P14867P18507P47870]
ChEMBL Positive allosteric modulation of GABAA alpha1beta2gamma2 receptor (unknown origin) stably expressed in CHO cells assessed as activation of GABA-induced response in presence of GABA by FLIPR assay B 5.32 pEC50 4800 nM EC50 J Nat Prod (2022) 85: 1201-1210 [PMID:35475609]
GABAA receptor α1 subunit/GABAA receptor β2 subunit/GABA-A receptor; GABA-A site (alpha1/beta2 interface) in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907597] [GtoPdb: 404411] [UniProtKB: P14867P47870]
ChEMBL Modulation of GABA Aalpha1beta2 receptor expressed in Xenopus laevis oocytes assessed as potentiation of GABA-induced chloride current at holding potential -70 mV by two-microelectrode voltage clamp technique B 4.43 pEC50 36800 nM EC50 J Med Chem (2011) 54: 5349-5361 [PMID:21699169]
Peroxisome proliferator-activated receptor-β/δ/Peroxisome proliferator-activated receptor delta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3979] [GtoPdb: 594] [UniProtKB: Q03181]
ChEMBL Agonist activity at PPARdelta (unknown origin) B 4.94 pEC50 11410 nM EC50 Eur J Med Chem (2021) 221: 113535-113535 [PMID:33992930]
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL235] [GtoPdb: 595] [UniProtKB: P37231]
ChEMBL Agonist activity at PPARgamma (unknown origin) B 5.79 pEC50 1620 nM EC50 Eur J Med Chem (2021) 221: 113535-113535 [PMID:33992930]
ChEMBL Agonist activity at PPARgamma (unknown origin) B 6.34 pEC50 458 nM EC50 Eur J Med Chem (2021) 221: 113535-113535 [PMID:33992930]
KCa1.1 in Human [GtoPdb: 380] [UniProtKB: Q12791]
GtoPdb - - 6 pEC50 ~1000 nM EC50 Thorax (2002) 57: 67-74 [PMID:11809993]
K2P1.1 in Human [GtoPdb: 513] [UniProtKB: O00180]
GtoPdb - - 5.21 pIC50 6200 nM IC50 Molecules (2023) 28: [PMID:37836658]

ChEMBL data shown on this page come from version 35:

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]