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

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ChEMBL ligand: CHEMBL43048 (3,4-methylenedioxymetamphetamine, 3,4-methylenedioxymethamphetamine, Ecstasy, Mdma, Methylenedioxymetamphetamine, Methylenedioxymethamfetamine, Methylenedioxymethamphetamine, Methylenedioxy Methamphetamine, Midomafetamine)
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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 32:

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]