MDMA [Ligand Id: 4574] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL43048 (3,4-methylenedioxymetamphetamine, 3,4-methylenedioxymethamphetamine, Ecstasy, Mandy, Mdma, Methylenedioxymetamphetamine, Methylenedioxymethamfetamine, Methylenedioxymethamphetamine, Methylenedioxy Methamphetamine, Midomafetamine, Molly)
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  • nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Rat [ChEMBL: CHEMBL1907596] [GtoPdb: 465472] [UniProtKB: P09483P12390]
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  • NET/Norepinephrine transporter in Human [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
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  • TA1 receptor/Trace amine-associated receptor 1 in Rat [ChEMBL: CHEMBL3833] [GtoPdb: 364] [UniProtKB: Q923Y9]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959]
ChEMBL Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay B 6.05 pKi 897 nM Ki Bioorg Med Chem Lett (2013) 23: 3411-3415 [PMID:23602445]
ChEMBL Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay B 5.62 pIC50 2398.83 nM IC50 Bioorg Med Chem Lett (2013) 23: 3411-3415 [PMID:23602445]
ChEMBL Inhibition of human dopamine transporter B 5.84 pIC50 1442 nM IC50 Eur J Med Chem (2009) 44: 4862-4888 [PMID:19717215]
ChEMBL Binding affinity to human DAT B 5.84 pIC50 1442 nM IC50 Bioorg Med Chem (2010) 18: 4009-4031 [PMID:20466553]
ChEMBL Binding affinity to human DAT expressed in HEK293 cells assessed as induction of [3H]MPP+ release by liquid scintillation counting method B 6 pEC50 1000 nM EC50 Bioorg Med Chem (2015) 23: 5574-5579 [PMID:26233799]
DAT/Dopamine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977]
ChEMBL Activity at DAT in rat synaptosomes assessed as release of [3H]DA after 5 mins by liquid scintillation counting method B 6.56 pEC50 278 nM EC50 J Med Chem (2017) 60: 2605-2628 [PMID:28244748]
ChEMBL Binding affinity to DAT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]MPP+ release by liquid scintillation counting method B 7.12 pEC50 75 nM EC50 Bioorg Med Chem (2015) 23: 5574-5579 [PMID:26233799]
nicotinic acetylcholine receptor α4 subunit/nicotinic acetylcholine receptor β2 subunit/Neuronal acetylcholine receptor; alpha4/beta2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907596] [GtoPdb: 465472] [UniProtKB: P09483P12390]
ChEMBL Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs B 5.84 pKi 1440 nM Ki Eur J Med Chem (2014) 81: 35-46 [PMID:24942641]
ChEMBL Displacement of [3H]epibatidine from alpha4beta2 nAChR in Sprague-Dawley rat brain cortical membrane after 3 hrs by liquid scintillation spectrometric analysis B 4.52 pIC50 30400 nM IC50 Eur J Med Chem (2014) 81: 35-46 [PMID:24942641]
NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975]
ChEMBL Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay B 6.4 pKi 398 nM Ki Bioorg Med Chem Lett (2013) 23: 3411-3415 [PMID:23602445]
ChEMBL Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay B 5.7 pIC50 1995.26 nM IC50 Bioorg Med Chem Lett (2013) 23: 3411-3415 [PMID:23602445]
ChEMBL Inhibition of human noradrenaline transporter B 6.39 pIC50 405 nM IC50 Eur J Med Chem (2009) 44: 4862-4888 [PMID:19717215]
ChEMBL Binding affinity to human NET B 6.39 pIC50 405 nM IC50 Bioorg Med Chem (2010) 18: 4009-4031 [PMID:20466553]
ChEMBL Binding affinity to human NET expressed in HEK293 cells assessed as induction of [3H]MPP+ release by liquid scintillation counting method B 6 pEC50 1000 nM EC50 Bioorg Med Chem (2015) 23: 5574-5579 [PMID:26233799]
SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
ChEMBL Inhibition of [3H]5-HT uptake at human SERT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay B 6.02 pKi 948 nM Ki Bioorg Med Chem Lett (2013) 23: 3411-3415 [PMID:23602445]
ChEMBL Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells B 8.69 pKi 2.03 nM Ki Bioorg Med Chem (2008) 16: 6364-6370 [PMID:18487050]
ChEMBL Displacement of [3H]citalopram from human SERT expressed in HEK293 cells B 9.14 pKi 0.73 nM Ki Bioorg Med Chem (2008) 16: 6364-6370 [PMID:18487050]
ChEMBL Inhibition of [3H]5-HT uptake at human SERT expressed in HEK293 cells preincubated for 10 mins prior to substrate addition measured after 4 mins by FLIPR assay B 5.56 pIC50 2754.23 nM IC50 Bioorg Med Chem Lett (2013) 23: 3411-3415 [PMID:23602445]
ChEMBL Inhibition of [3H]-serotonin reuptake at human SERT expressed in HEK293 cells after 15 to 20 mins by fluorescence neurotransmitter transporter assay B 5.96 pIC50 1100 nM IC50 Bioorg Med Chem (2011) 19: 1328-1348 [PMID:21227702]
ChEMBL Inhibition of [3H]5-HT uptake at SERT B 6.37 pIC50 425 nM IC50 Eur J Med Chem (2009) 44: 4862-4888 [PMID:19717215]
ChEMBL Binding affinity to human SERT B 6.37 pIC50 425 nM IC50 Bioorg Med Chem (2010) 18: 4009-4031 [PMID:20466553]
ChEMBL Induction of human SERT-dependent cytotoxicity in SERT expressing human DG75 cells after 48 hrs by neutral red assay B 4.49 pEC50 32359.37 nM EC50 Eur J Med Chem (2009) 44: 4862-4888 [PMID:19717215]
ChEMBL Binding affinity to human SERT expressed in HEK293 cells assessed as induction of [3H]5-HT release by liquid scintillation counting method B 6 pEC50 1000 nM EC50 Bioorg Med Chem (2015) 23: 5574-5579 [PMID:26233799]
SERT/Serotonin transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL313] [GtoPdb: 928] [UniProtKB: P31652]
ChEMBL Inhibition of [3H]5-HT reuptake at rat SERT expressed in HEK293 cells after 2 mins by liquid scintillation counting B 5.97 pIC50 1060 nM IC50 Eur J Med Chem (2009) 44: 4862-4888 [PMID:19717215]
ChEMBL Activity at SERT in rat synaptosomes assessed as release of [3H]HT after 5 mins by liquid scintillation counting method B 7.14 pEC50 72 nM EC50 J Med Chem (2017) 60: 2605-2628 [PMID:28244748]
ChEMBL Binding affinity to SERT in Sprague-Dawley rat brain synaptosomes assessed as induction of [3H]5-HT release by liquid scintillation counting method B 7.21 pEC50 61 nM EC50 Bioorg Med Chem (2015) 23: 5574-5579 [PMID:26233799]
TA1 receptor/Trace amine-associated receptor 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3833] [GtoPdb: 364] [UniProtKB: Q923Y9]
ChEMBL Activation of rat TAAR1 expressed in HEK293 cells assessed as accumulation of [3H]cAMP after 1 hr by competitive binding assay F 5.77 pEC50 1700 nM EC50 Bioorg Med Chem (2011) 19: 7044-7048 [PMID:22037049]

ChEMBL data shown on this page come from version 34:

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]