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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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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 33:
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]