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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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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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: 465, 472] [UniProtKB: P09483, P12390] | ||||||||
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]