fluoxetine [Ligand Id: 203] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL41 (Fluoxetine, Fluoxetin ratiopharm, Fluval, NSC-283480, NSC-758685, Prozac, Sarafem, Symbyax) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
| ChEMBL | Inhibition of human AchE | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2008) 51: 347-372 [PMID:18181565] |
| ChEMBL | Inhibition of AChE | B | 6.89 | pIC50 | 130 | nM | IC50 | Eur J Med Chem (2010) 45: 1167-1172 [PMID:20053484] |
| acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3198] [GtoPdb: 2465] [UniProtKB: P21836] | ||||||||
| ChEMBL | Inhibition of mouse brain AChE | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2019) 62: 8881-8914 [PMID:31082225] |
| α2A-adrenoceptor/Alpha-2a adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913] | ||||||||
| ChEMBL | Binding affinity for human alpha-2 adrenergic receptor expressed in CHO cell | B | 8.2 | pKi | 6.31 | nM | Ki | J Med Chem (2001) 44: 787-805 [PMID:11262089] |
| α2B-adrenoceptor/Alpha-2b adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1942] [GtoPdb: 26] [UniProtKB: P18089] | ||||||||
| ChEMBL | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | B | 6.16 | pKi | 698 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | B | 5.82 | pIC50 | 1528 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| CYP2D6/Cytochrome P450 2D6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL289] [GtoPdb: 1329] [UniProtKB: P10635] | ||||||||
| ChEMBL | DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 6.15 | pIC50 | 700 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| D2 receptor/Dopamine D2 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL339] [GtoPdb: 215] [UniProtKB: P61169] | ||||||||
| ChEMBL | Binding affinity at dopamine receptor D2 by the inhibition of binding to [3H]spiperone in rat striatal membranes | B | 7 | pIC50 | >100 | nM | IC50 | J Med Chem (1993) 36: 1194-1202 [PMID:8487257] |
| DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] | ||||||||
| ChEMBL | Equilibrium dissociation constant (KD) for Competitive binding between [3H]WIN-35428 and the compound at human transporter-hDAT | B | 5.44 | pKd | 3600 | nM | Kd | Bioorg Med Chem Lett (1998) 8: 487-492 [PMID:9871604] |
| ChEMBL | Displacement of [125I]RTI55 from human recombinant DAT expressed in HEK293 cells | B | 5.18 | pKi | 6670 | nM | Ki | Bioorg Med Chem (2009) 17: 337-343 [PMID:19014888] |
| ChEMBL | Displacement of [125I]RTI-55 from human recombinant DAT expressed in HEK293 cells by scintillation counting | B | 5.18 | pKi | 6670 | nM | Ki | J Med Chem (2009) 52: 1530-1539 [PMID:19256502] |
| ChEMBL | Inhibition constant against dopamine transporter | B | 5.22 | pKi | 6000 | nM | Ki | J Med Chem (2005) 48: 6523-6543 [PMID:16220969] |
| 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 | 5.42 | pKi | 3764 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 3411-3415 [PMID:23602445] |
| ChEMBL | Binding inhibition towards human dopamine transporter | B | 5.72 | pKi | 1900 | nM | Ki | J Med Chem (2005) 48: 6023-6034 [PMID:16162005] |
| ChEMBL | Displacement of [3H]dopamine from human recombinant DAT expressed in HEK293 cells by scintillation counting | B | 4.71 | pIC50 | 19500 | nM | IC50 | J Med Chem (2009) 52: 1530-1539 [PMID:19256502] |
| ChEMBL | Inhibition of [3H]DA from human recombinant DAT expressed in HEK293 cells | B | 4.71 | pIC50 | 19500 | nM | IC50 | Bioorg Med Chem (2009) 17: 337-343 [PMID:19014888] |
| ChEMBL | Inhibition of human DAT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay | B | 4.74 | pIC50 | 18400 | nM | IC50 | ACS Med Chem Lett (2014) 5: 999-1004 [PMID:25221656] |
| ChEMBL | Inhibition of DA reuptake at human DAT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay | B | 4.74 | pIC50 | 18400 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 3234-3237 [PMID:24974340] |
| ChEMBL | Binding Assay: DA transporter binding assay for evaluating binding of the compound to the dopamine transporter was carried out using human recombinant dopamine transporter membrane (PerkinElmer Life and Analytical Sciences, USA) expressed in CHO-K1 cells and radioisotope [3H]WIN35,428 (PerkinElmer).That is, the test drug, 8 nM [3H]WIN35,428, dopamine transporter membrane (23 ug/well), and 50 mM Tris-HCl buffer (pH 7.4) containing 100 mM NaCl were added to obtain a reaction mixture with a final volume of 0.25 ml. After incubation for 120 minutes at 4° C., the mixture was quickly passed through a Filtermat A glass fiber filter pre-soaked with 0.5% (w/v) PEI (polyethyleneimine) using Inotech Harvester (Inotech) to terminate the reaction. After washing with cold washing buffer (50 mM Tris-HCl, pH 7.4, 0.9% NaCl) solution, the filter was covered with MeltiLex and sealed in a sample bag. After drying in an oven, radioactivity was counted using MicroBeta Plus (Wallac). | B | 5 | pIC50 | >10000 | nM | IC50 | US-9120771-B2. Azetidine derivative and antidepressant composition including the same (2015) |
| 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 | 5.04 | pIC50 | 9120.11 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 3411-3415 [PMID:23602445] |
| ChEMBL | Inhibition of dopamine uptake at human DAT in human HEK293 cells | B | 5.22 | pIC50 | 6000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4224-4227 [PMID:18550369] |
| ChEMBL | Inhibition of dopamine uptake at human DAT expressed in HEK cells | B | 5.22 | pIC50 | 6000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4495-4498 [PMID:18667309] |
| ChEMBL | Inhibition of DA transporter expressed in HEK293 cells | B | 5.36 | pIC50 | 4400 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4345-4348 [PMID:16750359] |
| ChEMBL | Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells | B | 5.36 | pIC50 | 4400 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4349-4353 [PMID:16750363] |
| DAT/Dopamine transporter in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2799] [GtoPdb: 927] [UniProtKB: Q61327] | ||||||||
| ChEMBL | Tested in vitro for dopamine(DA) neuronal uptake inhibition | B | 5.7 | pKi | >2000 | nM | Ki | J Med Chem (1990) 33: 2793-2797 [PMID:2213832] |
| DAT/Dopamine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977] | ||||||||
| ChEMBL | Ability to inhibit high affinity reuptake of [3H]DA from dopamine transporter into nerve endings synaptosomes | B | 5.34 | pKi | 4580 | nM | Ki | J Med Chem (2002) 45: 1930-1941 [PMID:11960503] |
| ChEMBL | Inhibition of [3H]- DA reuptake into rat striatal synaptosomes | B | 5.52 | pKi | 3050 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 487-492 [PMID:9871604] |
| ChEMBL | Inhibition of [3H]DA uptake by dopamine transporter of rat striata synaptosomes | B | 5.6 | pKi | >2500 | nM | Ki | J Med Chem (2000) 43: 1215-1222 [PMID:10737754] |
| ChEMBL | Inhibition of [3H]DA uptake at Dopamine transporter into rat nerve endings (synaptosomes) | B | 5.6 | pKi | >2500 | nM | Ki | Bioorg Med Chem Lett (2000) 10: 2741-2743 [PMID:11133081] |
| ChEMBL | Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation | B | 5.96 | pKi | 1092 | nM | Ki | J Med Chem (2011) 54: 2924-2932 [PMID:21446715] |
| ChEMBL | Displacement of [3H]-dopamine from rat striatum DAT after 5 mins | B | 5.96 | pKi | 1092 | nM | Ki | Bioorg Med Chem (2014) 22: 311-324 [PMID:24315194] |
| ChEMBL | Displacement of [125I]RTI55 from DAT in Sprague-dawley rat striatum by liquid scintillation spectrophotometry | B | 5.22 | pIC50 | 6000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 58-61 [PMID:19038547] |
| Kv11.1/HERG in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | B | 5 | pKi | 10066 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | B | 4.91 | pIC50 | 12286.4 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ChEMBL | Displacement of [3H]astemizole from human ERG | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126882-126882 [PMID:31889666] |
| ChEMBL | Displacement of [3H] astemizole from human recombinant ERG channel expressed in HEK293 cells | B | 5.51 | pIC50 | 3100 | nM | IC50 | Bioorg Med Chem (2010) 18: 6156-6169 [PMID:20637635] |
| ChEMBL | Inhibition of human Potassium channel HERG expressed in mammalian cells | B | 5.82 | pIC50 | 1513.56 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 2773-2775 [PMID:12873512] |
| ChEMBL | Inhibitory concentration against potassium channel HERG | B | 5.82 | pIC50 | 1513.56 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2886-2890 [PMID:15911273] |
| ChEMBL | Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique | B | 5.82 | pIC50 | 1513.56 | nM | IC50 | Bioorg Med Chem (2008) 16: 6252-6260 [PMID:18448342] |
| ChEMBL | Inhibition of human ERG | B | 6.34 | pIC50 | 457.09 | nM | IC50 | Eur J Med Chem (2011) 46: 618-630 [PMID:21185626] |
| ChEMBL | Inhibition of human ERG | B | 8 | pIC50 | 10 | nM | IC50 | J Med Chem (2013) 56: 8955-8971 [PMID:23919353] |
| H3 receptor/Histamine H3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL264] [GtoPdb: 264] [UniProtKB: Q9Y5N1] | ||||||||
| ChEMBL | Binding affinity to human histamine H3 receptor | B | 5.14 | pKi | 7300 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 702-706 [PMID:17107798] |
| ChEMBL | Binding affinity to human histamine H3 receptor | B | 5.14 | pKi | 7300 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 4799-4803 [PMID:17616397] |
| ChEMBL | Binding affinity at human histamine H3 receptor | B | 5.14 | pKi | 7300 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 1047-1051 [PMID:17127059] |
| ChEMBL | Displacement of N-[3H]alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells | B | 5.14 | pKi | 7300 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 2566-2569 [PMID:17307358] |
| M1 receptor/Muscarinic acetylcholine receptor M1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL216] [GtoPdb: 13] [UniProtKB: P11229] | ||||||||
| ChEMBL | DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) | B | 6.11 | pKi | 771 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Muscarinic M1 radioligand binding (ligand: [3H] N-Methylscopolamine) | B | 5.49 | pIC50 | 3203 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| M3 receptor/Muscarinic acetylcholine receptor M3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL245] [GtoPdb: 15] [UniProtKB: P20309] | ||||||||
| ChEMBL | DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) | B | 6.12 | pKi | 762 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Muscarinic M3 radioligand binding (ligand: [3H] N-Methylscopolamine) | B | 5.44 | pIC50 | 3595 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| M5 receptor/Muscarinic acetylcholine receptor M5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2035] [GtoPdb: 17] [UniProtKB: P08912] | ||||||||
| ChEMBL | DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) | B | 6.01 | pKi | 976 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Muscarinic M5 radioligand binding (ligand: [3H] N-Methylscopolamine) | B | 5.87 | pIC50 | 1358 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| NET/Norepinephrine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] | ||||||||
| ChEMBL | Equilibrium dissociation constant (KD) for Competitive binding between [3H]- nisoxatine and the compound at human Norepinephrine transporter | B | 6.62 | pKd | 240 | nM | Kd | Bioorg Med Chem Lett (1998) 8: 487-492 [PMID:9871604] |
| ChEMBL | Inhibition constant against norepinephrine transporter | B | 5.7 | pKi | 2000 | nM | Ki | J Med Chem (2005) 48: 6523-6543 [PMID:16220969] |
| ChEMBL | Displacement of [125I]RTI55 from human recombinant NET expressed in HEK293 cells | B | 5.81 | pKi | 1560 | nM | Ki | Bioorg Med Chem (2009) 17: 337-343 [PMID:19014888] |
| ChEMBL | Displacement of [125I]RTI-55 from human recombinant NET expressed in HEK293 cells by scintillation counting | B | 5.81 | pKi | 1560 | nM | Ki | J Med Chem (2009) 52: 1530-1539 [PMID:19256502] |
| 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 | 5.86 | pKi | 1394 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 3411-3415 [PMID:23602445] |
| ChEMBL | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.89 | pKi | 1292 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | Binding inhibition towards human norepinephrine transporter | B | 6.36 | pKi | 440 | nM | Ki | J Med Chem (2005) 48: 6023-6034 [PMID:16162005] |
| 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 | 5.2 | pIC50 | 6309.57 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 3411-3415 [PMID:23602445] |
| ChEMBL | Inhibition of [3H]NA uptake at NA transporter expressed in HEK293 cells | B | 5.28 | pIC50 | 5200 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4345-4348 [PMID:16750359] |
| ChEMBL | Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells | B | 5.28 | pIC50 | 5200 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4349-4353 [PMID:16750363] |
| ChEMBL | Inhibition of human NET expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay | B | 5.36 | pIC50 | 4410 | nM | IC50 | ACS Med Chem Lett (2014) 5: 999-1004 [PMID:25221656] |
| ChEMBL | Inhibition of norepinephrine reuptake at human NET expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay | B | 5.36 | pIC50 | 4410 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 3234-3237 [PMID:24974340] |
| ChEMBL | Binding Assay: NE transporter binding assay for evaluating binding of the compound to the norepinephrine transporter was carried out using human recombinant norepinephrine transporter membrane (PerkinElmer Life and Analytical Sciences, USA) expressed in MDCK cells and radioisotope [3H]Nisoxetine (PerkinElmer).That is, the test drug, 6 nM [3H]Nisoxetine, norepinephrine transporter membrane (11 ug/well), 120 mM NaCl and 50 mM Tris-HCl buffer (pH 7.4) containing 5 mM KCl were added to obtain a reaction mixture with a final volume of 0.25 ml. After incubation for 60 minutes at 4° C., the mixture was quickly passed through a Filtermat A glass fiber filter pre-soaked with 0.5% (w/v) PEI (polyethyleneimine) using Inotech Harvester (Inotech) to terminate the reaction. After washing with cold washing buffer (50 mM Tris-HCl, pH 7.4, 0.9% NaCl) solution, the filter was covered with MeltiLex and sealed in a sample bag. After drying in an oven, radioactivity was counted using MicroBeta Plus (Wallac). | B | 5.6 | pIC50 | 2535 | nM | IC50 | US-9120771-B2. Azetidine derivative and antidepressant composition including the same (2015) |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in HEK cells | B | 5.7 | pIC50 | 2000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4495-4498 [PMID:18667309] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET in human HEK293 cells | B | 5.7 | pIC50 | 2000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4224-4227 [PMID:18550369] |
| ChEMBL | DRUGMATRIX: Norepinephrine Transporter radioligand binding (ligand: [125I] RTI-55) | B | 5.89 | pIC50 | 1303 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ChEMBL | Inhibition of [3H]NE from human recombinant NET expressed in HEK293 cells | B | 5.99 | pIC50 | 1020 | nM | IC50 | Bioorg Med Chem (2009) 17: 337-343 [PMID:19014888] |
| ChEMBL | Displacement of [3H]norepinephrine from human recombinant NET expressed in HEK293 cells by scintillation counting | B | 5.99 | pIC50 | 1020 | nM | IC50 | J Med Chem (2009) 52: 1530-1539 [PMID:19256502] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in MDCK cells | B | 6.25 | pIC50 | 563 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4929-4931 [PMID:18771916] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells | B | 6.25 | pIC50 | 563 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 2464-2467 [PMID:19329313] |
| NET/Norepinephrine transporter in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2370] [GtoPdb: 926] [UniProtKB: O55192] | ||||||||
| ChEMBL | Tested in vitro for norepinephrine (NE) neuronal uptake inhibition | B | 7.07 | pKi | 85 | nM | Ki | J Med Chem (1990) 33: 2793-2797 [PMID:2213832] |
| Norepinephrine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL304] [UniProtKB: Q9WTR4] | ||||||||
| ChEMBL | In vitro binding affinity was determined against NA (noradrenaline) reuptake site of rat in presence of [3H]nisoxetine radioligand | F | 6.1 | pKi | 794.33 | nM | Ki | J Med Chem (2001) 44: 787-805 [PMID:11262089] |
| ChEMBL | Inhibition of [3H]NE uptake by Norepinephrine transporter of rat occipital cortex synaptosomes | B | 6.75 | pKi | 176 | nM | Ki | J Med Chem (2000) 43: 1215-1222 [PMID:10737754] |
| ChEMBL | Inhibition of norepinephrine transporter by inhibition of [3H]NE uptake into rat nerve endings (synaptosomes) | B | 6.75 | pKi | 176 | nM | Ki | Bioorg Med Chem Lett (2000) 10: 2741-2743 [PMID:11133081] |
| ChEMBL | Ability to inhibit high affinity reuptake of [3H]-NE (Norepinephrine transporter) into nerve ending synaptosomes prepared from brain regions | B | 6.78 | pKi | 167 | nM | Ki | J Med Chem (2002) 45: 1930-1941 [PMID:11960503] |
| ChEMBL | Inhibition of [3H]- NE reuptake into rat hippocampal synaptosomes | B | 6.84 | pKi | 143 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 487-492 [PMID:9871604] |
| K2P2.1/Potassium channel subfamily K member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321615] [GtoPdb: 514] [UniProtKB: O95069] | ||||||||
| ChEMBL | Inhibition of of human TREK1 expressed in tsA201 cells assessed as reduction in channel currents | B | 4.72 | pIC50 | 19000 | nM | IC50 | J Med Chem (2016) 59: 5149-5157 [PMID:26588045] |
| ChEMBL | Inhibition of of human TREK1 expressed in HEK293 cells assessed as reduction in channel currents | B | 4.85 | pIC50 | 14000 | nM | IC50 | J Med Chem (2016) 59: 5149-5157 [PMID:26588045] |
| Kv3.1/Potassium voltage-gated channel subfamily C member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2321617] [GtoPdb: 548] [UniProtKB: P25122] | ||||||||
| ChEMBL | Inhibition of rat voltage-gated K channel 3.1 expressed in CHO cells by patch clamp assay | B | 4.88 | pIC50 | 13100 | nM | IC50 | J Med Chem (2013) 56: 593-624 [PMID:23121096] |
| GtoPdb | - | - | 6.1 | pIC50 | - | - | - | Neuropharmacology (2001) 41: 443-53 [PMID:11543764] |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | B | 7.26 | pKi | 55 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | Displacement of [3H]ketanserin from 5HT2A receptor (unknown origin) by cell based radioligand competitive binding analysis | B | 6.15 | pIC50 | 710 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126882-126882 [PMID:31889666] |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | B | 6.71 | pIC50 | 194 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-HT2A receptor in Rat [GtoPdb: 6] [UniProtKB: P14842] | ||||||||
| GtoPdb | - | - | 6.5 | pKi | - | - | - | Circulation (2000) 102: 2836-41 [PMID:11104741] |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | B | 7.21 | pKi | 62 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | Displacement of [3H]mesulergine from 5-HT2C receptor (unknown origin) by cell based radioligand competitive binding analysis | B | 6.8 | pIC50 | 160 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126882-126882 [PMID:31889666] |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | B | 6.92 | pIC50 | 119 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL324] [GtoPdb: 8] [UniProtKB: P08909] | ||||||||
| ChEMBL | Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat choroid plexus membranes after 30 mins by liquid scintillation spectrophotometric analysis | B | 6.96 | pKi | 109 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 2118-2122 [PMID:24717153] |
| GtoPdb | - | - | 7.3 | pKi | - | - | - | Circulation (2000) 102: 2836-41 [PMID:11104741] |
| 5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 6.11 | pKi | 771 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT6 radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 5.78 | pIC50 | 1661 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-HT6 receptor in Rat [GtoPdb: 11] [UniProtKB: P31388] | ||||||||
| GtoPdb | - | - | 5.8 | pKi | - | - | - | Mol Pharmacol (1993) 43: 320-7 [PMID:7680751] |
| SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
| ChEMBL | Equilibrium dissociation constant (KD) for Competitive binding between [3H]- imipramine and the compound at human transporter-hSERT | B | 9.09 | pKd | 0.81 | nM | Kd | Bioorg Med Chem Lett (1998) 8: 487-492 [PMID:9871604] |
| 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 | 7.01 | pKi | 98 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 3411-3415 [PMID:23602445] |
| ChEMBL | Inhibition constant against serotonin transporter | B | 7.32 | pKi | 48 | nM | Ki | J Med Chem (2005) 48: 6523-6543 [PMID:16220969] |
| ChEMBL | Displacement of [3H]citalopram from human SERT in HEK293 cells by Topcount scintillation analysis | B | 7.51 | pKi | 31 | nM | Ki | Eur J Med Chem (2021) 220: 113533-113533 [PMID:34049262] |
| ChEMBL | Compound was evaluated for its binding affinity towards human serotonin transporter | B | 8.46 | pKi | 3.5 | nM | Ki | J Med Chem (2000) 43: 1011-1018 [PMID:10715164] |
| ChEMBL | Evaluated for affinity at 5-HT uptake site using [3H]paroxetine as radioligand in radioligand binding assay | B | 8.5 | pKi | 3.17 | nM | Ki | Bioorg Med Chem Lett (1995) 5: 2287-2292 |
| GtoPdb | - | - | 8.5 | pKi | 3 | nM | Ki | Eur J Pharmacol (1997) 340: 249-58 [PMID:9537821] |
| ChEMBL | Binding affinity to human SERT | B | 8.66 | pKi | 2.2 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 2566-2569 [PMID:17307358] |
| ChEMBL | Binding affinity at human SERT | B | 8.66 | pKi | 2.2 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 1047-1051 [PMID:17127059] |
| ChEMBL | Binding affinity to human SERT | B | 8.66 | pKi | 2.2 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 4799-4803 [PMID:17616397] |
| ChEMBL | Binding affinity to human SERT | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 702-706 [PMID:17107798] |
| ChEMBL | Displacement of [3H]Paroxetine from human recombinant SERT expressed in HEK293 cells after 60 mins | B | 8.85 | pKi | 1.4 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 1834-1838 [PMID:23403082] |
| ChEMBL | Displacement of [125I]RTI-55 from human recombinant SERT expressed in HEK293 cells by scintillation counting | B | 8.96 | pKi | 1.1 | nM | Ki | J Med Chem (2009) 52: 1530-1539 [PMID:19256502] |
| ChEMBL | Displacement of [125I]RTI55 from human recombinant SERT expressed in HEK293 cells | B | 8.96 | pKi | 1.1 | nM | Ki | Bioorg Med Chem (2009) 17: 337-343 [PMID:19014888] |
| ChEMBL | Binding inhibition towards human serotonin transporter | B | 9.14 | pKi | 0.72 | nM | Ki | J Med Chem (2005) 48: 6023-6034 [PMID:16162005] |
| ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 9.57 | pKi | 0.27 | nM | Ki | DrugMatrix in vitro pharmacology data |
| 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 | 6.55 | pIC50 | 281.84 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 3411-3415 [PMID:23602445] |
| ChEMBL | Inhibition of SERT | B | 6.74 | pIC50 | 180 | nM | IC50 | J Med Chem (2008) 51: 347-372 [PMID:18181565] |
| ChEMBL | Inhibition of human SERT expressed in HEK293 cells at incubated for 15 mins by neurotransmitter reuptake assay | B | 6.82 | pIC50 | 150 | nM | IC50 | ACS Med Chem Lett (2014) 5: 999-1004 [PMID:25221656] |
| ChEMBL | Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells after 15 mins by fluorescence neurotransmitter transporter assay | B | 6.82 | pIC50 | 150 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 3234-3237 [PMID:24974340] |
| ChEMBL | Inhibition of serotonin uptake at human SERT expressed in HEK cells | B | 7.33 | pIC50 | 47 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4495-4498 [PMID:18667309] |
| ChEMBL | Inhibition of serotonin uptake at human SERT in human HEK293 cells | B | 7.33 | pIC50 | 47 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4224-4227 [PMID:18550369] |
| ChEMBL | Inhibition of [3H]5-HT uptake at human 5-HT transporter expressed in Jar cells | B | 7.4 | pIC50 | 39.4 | nM | IC50 | J Med Chem (2006) 49: 4785-4789 [PMID:16854086] |
| ChEMBL | Inhibition of 5-HT transporter-mediated [3H]5HT uptake in human Jar cells | B | 7.4 | pIC50 | 39.4 | nM | IC50 | J Med Chem (2008) 51: 6980-7004 [PMID:18834188] |
| ChEMBL | Inhibition concentration against [3H]5-HT uptake by human serotonin transporter in JAR cells | B | 7.49 | pIC50 | 32.4 | nM | IC50 | J Med Chem (2004) 47: 3823-3842 [PMID:15239661] |
| ChEMBL | Inhibition of [3H]5-HT uptake at 5HT transporter expressed in HEK293 cells | B | 7.8 | pIC50 | 16 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4345-4348 [PMID:16750359] |
| ChEMBL | Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells | B | 7.8 | pIC50 | 16 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4349-4353 [PMID:16750363] |
| ChEMBL | Inhibition of serotonin uptake at human SERT expressed in JAR cells | B | 8 | pIC50 | 10 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4929-4931 [PMID:18771916] |
| ChEMBL | Inhibition of serotonin uptake at human SERT expressed in human JAR cells | B | 8 | pIC50 | 10 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 2464-2467 [PMID:19329313] |
| ChEMBL | Inhibition of human SERT expressed in JAR cells | B | 8.03 | pIC50 | 9.4 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 5807-5810 [PMID:19713106] |
| ChEMBL | Inhibition of 5HT uptake at human SERT expressed in human JAR cells | B | 8.03 | pIC50 | 9.4 | nM | IC50 | J Med Chem (2008) 51: 4038-4049 [PMID:18557608] |
| ChEMBL | Inhibition of serotonin uptake at human SERT expressed in JAR cells | B | 8.03 | pIC50 | 9.4 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 6067-6070 [PMID:18951020] |
| ChEMBL | Inhibition of [3H]hydroxytryptamine creatinine sulfate uptake at human SERT expressed in human JAR cells | B | 8.03 | pIC50 | 9.4 | nM | IC50 | J Med Chem (2009) 52: 5703-5711 [PMID:19722525] |
| ChEMBL | Inhibition of serotonin uptake at human SERT expressed in JAR cells | B | 8.03 | pIC50 | 9.4 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 5029-5032 [PMID:19632110] |
| ChEMBL | Inhibition of serotonin uptake at human SERT expressed in human JAR cells | B | 8.03 | pIC50 | 9.4 | nM | IC50 | J Med Chem (2010) 53: 2051-2062 [PMID:20131864] |
| ChEMBL | Inhibition of human SERT expressed in human JAR cells | B | 8.03 | pIC50 | 9.4 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 2809-2812 [PMID:20378347] |
| ChEMBL | Inhibition of SERT-mediated serotonin uptake in human JAR cells | B | 8.03 | pIC50 | 9.4 | nM | IC50 | J Med Chem (2010) 53: 4511-4521 [PMID:20462211] |
| ChEMBL | Inhibition of human SERT expressed in JAR cells assessed as serotonin uptake | B | 8.03 | pIC50 | 9.4 | nM | IC50 | J Med Chem (2011) 54: 6824-6831 [PMID:21916421] |
| ChEMBL | Displacement of [3H]Paroxetine from human recombinant SERT expressed in HEK293 cells after 60 mins | B | 8.07 | pIC50 | 8.6 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1834-1838 [PMID:23403082] |
| ChEMBL | Displacement of [3H]serotonin from human recombinant SERT expressed in HEK293 cells by scintillation counting | B | 8.14 | pIC50 | 7.3 | nM | IC50 | J Med Chem (2009) 52: 1530-1539 [PMID:19256502] |
| ChEMBL | Displacement of [3H]imipramin from human recombinant SERT over-expressed in HEK293 cells | B | 8.14 | pIC50 | 7.2 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 5515-5518 [PMID:24012181] |
| ChEMBL | Inhibition of [3H]5HT from human recombinant SERT expressed in HEK293 cells | B | 8.15 | pIC50 | 7 | nM | IC50 | Bioorg Med Chem (2009) 17: 337-343 [PMID:19014888] |
| ChEMBL | Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK293 cells by scintillation counting | B | 8.28 | pIC50 | 5.2 | nM | IC50 | Bioorg Med Chem (2011) 19: 663-676 [PMID:21093273] |
| ChEMBL | Inhibition of serotonin reuptake at SERT expressed in HEK293 cells | B | 8.3 | pIC50 | 5.01 | nM | IC50 | J Med Chem (2011) 54: 5283-5295 [PMID:21739935] |
| ChEMBL | Inhibition of [3H]serotonin reuptake at human recombinant SERT expressed in LLC-PK1 cells by liquid scintillation counting | B | 8.3 | pIC50 | 5.01 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 1434-1437 [PMID:21310612] |
| ChEMBL | Displacement of [3H]imipramine from SERT receptor (unknown origin) by cell based radioligand competitive binding analysis | B | 8.4 | pIC50 | 4 | nM | IC50 | Bioorg Med Chem Lett (2020) 30: 126882-126882 [PMID:31889666] |
| ChEMBL | Inhibition of SERT (unknown origin) | B | 8.45 | pIC50 | 3.58 | nM | IC50 | J Med Chem (2020) 63: 15187-15217 [PMID:33111525] |
| ChEMBL | Binding Assay: 5-HT transporter binding assay for evaluating binding of the compound to the serotonin transporter was carried out using human recombinant serotonin transporter membrane (PerkinElmer Life and Analytical Sciences, USA) expressed in HEK293 cells and radioisotope [3H]Imipramine (PerkinElmer).That is, the test drug, 2 nM [3H]Imipramine, serotonin transporter membrane (9 ug/well), 120 mM NaCl and 50 mM Tris-HCl buffer (pH 7.4) containing 5 mM KCl were added to obtain a reaction mixture with a final volume of 0.25 ml. After incubation for 30 minutes at 27° C., the mixture was quickly passed through a Filtermat A glass fiber filter (PerkinElmer) pre-soaked with 0.5% (w/v) PEI (polyethyleneimine) using Inotech Harvester (Inotech) to terminate the reaction. After washing with cold washing buffer (50 mM Tris-HCl, pH 7.4, 154 mM NaCl) solution, the filter was covered with MeltiLex and sealed in a sample bag. After drying in an oven, radioactivity was counted using MicroBeta Plus (Wallac). | B | 8.45 | pIC50 | 3.58 | nM | IC50 | US-9120771-B2. Azetidine derivative and antidepressant composition including the same (2015) |
| ChEMBL | Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells | B | 8.51 | pIC50 | 3.1 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 5567-5571 [PMID:20724153] |
| ChEMBL | Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells | B | 8.6 | pIC50 | 2.5 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 1027-1030 [PMID:20034793] |
| ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 9.29 | pIC50 | 0.51 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ChEMBL | Inhibition of human SERT-mediated serotonin reuptake in HEK293 cells | B | 8.57 | pEC50 | 2.7 | nM | EC50 | ACS Med Chem Lett (2011) 2: 656-661 [PMID:21927645] |
| SERT/Serotonin transporter in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4642] [GtoPdb: 928] [UniProtKB: Q60857] | ||||||||
| ChEMBL | Tested in vitro for serotonin(5-HT) neuronal uptake inhibition | B | 7.97 | pKi | 10.8 | nM | Ki | J Med Chem (1990) 33: 2793-2797 [PMID:2213832] |
| SERT/Serotonin transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL313] [GtoPdb: 928] [UniProtKB: P31652] | ||||||||
| ChEMBL | Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry | B | 7.32 | pKi | 48 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 58-61 [PMID:19038547] |
| ChEMBL | Inhibition of [3H]5HT uptake at SERT in rat brain hippocampal synaptosomes by liquid scintillation spectrophotometry | B | 7.39 | pKi | 41 | nM | Ki | Bioorg Med Chem (2010) 18: 640-649 [PMID:20036131] |
| ChEMBL | Inhibition of [3H]citalopram binding to Serotonin transporter of rat cerebral cortex | B | 7.66 | pKi | 22.13 | nM | Ki | Bioorg Med Chem Lett (2000) 10: 1559-1562 [PMID:10915050] |
| ChEMBL | Displacement of [3H]citalopram from rat cortical serotonin transporter (SERT) | B | 7.66 | pKi | 22.13 | nM | Ki | Bioorg Med Chem Lett (2002) 12: 811-815 [PMID:11859009] |
| ChEMBL | Inhibition of [3H]5-HT reuptake into rat frontal cortex synaptosomes | B | 7.85 | pKi | 14 | nM | Ki | Bioorg Med Chem Lett (1998) 8: 487-492 [PMID:9871604] |
| ChEMBL | Displacement of [3H]-citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis | B | 7.9 | pKi | 12.7 | nM | Ki | Eur J Med Chem (2013) 63: 484-500 [PMID:23524160] |
| ChEMBL | Displacement of [3H]5-HT from rat cerebral cortex SERT after 10 mins | B | 7.91 | pKi | 12.2 | nM | Ki | Bioorg Med Chem (2014) 22: 311-324 [PMID:24315194] |
| ChEMBL | Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation | B | 7.91 | pKi | 12.2 | nM | Ki | J Med Chem (2011) 54: 2924-2932 [PMID:21446715] |
| ChEMBL | In vitro binding affinity was determined against serotonin reuptake site of rat in presence of [3H]paroxetine radioligand | F | 8 | pKi | 10 | nM | Ki | J Med Chem (2001) 44: 787-805 [PMID:11262089] |
| ChEMBL | Displacement of [3H]citalopram from Sprague-Dawley rat SERT | B | 8.06 | pKi | 8.7 | nM | Ki | Bioorg Med Chem (2007) 15: 3499-3504 [PMID:17376695] |
| ChEMBL | Inhibition of high affinity re-uptake of [3H]5-HT (serotonin) into nerve ending synaptosomes | B | 8.14 | pKi | 7.3 | nM | Ki | J Med Chem (2002) 45: 1930-1941 [PMID:11960503] |
| ChEMBL | Inhibition of [3H]5-HT uptake into rat synaptosomes by Serotonin transporter | F | 8.14 | pKi | 7.3 | nM | Ki | Bioorg Med Chem Lett (2000) 10: 2741-2743 [PMID:11133081] |
| ChEMBL | Inhibition of [3H]5-HT uptake by Serotonin transporter of rat midbrain or parietal synaptosomes | B | 8.14 | pKi | 7.3 | nM | Ki | J Med Chem (2000) 43: 1215-1222 [PMID:10737754] |
| ChEMBL | Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrophotometric analysis | B | 8.25 | pKi | 5.6 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 2118-2122 [PMID:24717153] |
| ChEMBL | Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane | B | 8.41 | pKi | 3.9 | nM | Ki | J Med Chem (2008) 51: 6980-7004 [PMID:18834188] |
| ChEMBL | Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes | B | 8.41 | pKi | 3.9 | nM | Ki | J Med Chem (2006) 49: 4785-4789 [PMID:16854086] |
| ChEMBL | Binding affinity to rat SERT | B | 8.54 | pKi | 2.9 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 2566-2569 [PMID:17307358] |
| ChEMBL | Binding affinity at rat SERT | B | 8.54 | pKi | 2.9 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 1047-1051 [PMID:17127059] |
| ChEMBL | Binding affinity to rat SERT | B | 8.54 | pKi | 2.9 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 4799-4803 [PMID:17616397] |
| ChEMBL | Binding affinity to rat SERT | B | 8.55 | pKi | 2.8 | nM | Ki | Bioorg Med Chem Lett (2007) 17: 702-706 [PMID:17107798] |
| ChEMBL | Binding affinity against serotonin transporter in rat cortical tissues using radioligand [3H]paroxetine | B | 8.57 | pKi | 2.72 | nM | Ki | J Med Chem (2004) 47: 3823-3842 [PMID:15239661] |
| ChEMBL | Displacement of [3H]paroxetine from 5HT transporter in rat cortical membrane | B | 8.57 | pKi | 2.7 | nM | Ki | J Med Chem (2009) 52: 4955-4959 [PMID:19719241] |
| ChEMBL | Displacement of [3H]paroxetine from rat cortical 5HTT reuptake site | B | 8.57 | pKi | 2.7 | nM | Ki | Bioorg Med Chem (2008) 16: 6707-6723 [PMID:18571421] |
| ChEMBL | Displacement of [3H]5-HT from of SERT in rat midbrain homogenates after 5 mins by scintillation counting | B | 5.08 | pIC50 | 8300 | nM | IC50 | J Med Chem (2011) 54: 3086-3090 [PMID:21469694] |
| ChEMBL | Inhibition of rat synaptosome SERT | B | 6.74 | pIC50 | 180 | nM | IC50 | J Med Chem (2019) 62: 8881-8914 [PMID:31082225] |
| ChEMBL | Inhibition of neuronal uptake of 5 - Hydroxytryptamine in rat brain homogenate | F | 6.89 | pIC50 | 130 | nM | IC50 | J Med Chem (1997) 40: 3516-3523 [PMID:9357518] |
| ChEMBL | Inhibition of [3H]peroxitine binding to rat cortical membranes as measure of inhibitory activity towards 5-HT uptake | B | 7.82 | pIC50 | 15 | nM | IC50 | J Med Chem (1993) 36: 1194-1202 [PMID:8487257] |
| ChEMBL | Displacement of [3H]paroxetine from SERT in rat cerebral cortex | B | 7.9 | pIC50 | 12.6 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 5567-5571 [PMID:20724153] |
| ChEMBL | Binding affinity against Serotonin transporter in rat cerebral cortex using [3H]paroxetine binding assay. | B | 8.2 | pIC50 | 6.31 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 3195-3198 [PMID:12372532] |
| σ2/Sigma intracellular receptor 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105864] [GtoPdb: 2553] [UniProtKB: Q5U3Y7] | ||||||||
| ChEMBL | Displacement of [3H]DTG from sigma 2 receptor in Sprague-Dawley rat brain membranes in presence of (+)-pentazocine by scintillation counting method | B | 4.79 | pKi | 16100 | nM | Ki | J Med Chem (2020) 63: 15187-15217 [PMID:33111525] |
| sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
| ChEMBL | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | B | 6.68 | pKi | 210 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | The compound was tested for affinity towards sigma-3 receptor | B | 6.07 | pIC50 | 851.14 | nM | IC50 | J Med Chem (1994) 37: 4109-4117 [PMID:7990111] |
| ChEMBL | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | B | 6.3 | pIC50 | 499 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| sigma non-opioid intracellular receptor 1/Sigma opioid receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3602] [GtoPdb: 2552] [UniProtKB: Q9R0C9] | ||||||||
| ChEMBL | Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Sprague-Dawley rat brain membranes by scintillation counting method | B | 6.62 | pKi | 240 | nM | Ki | J Med Chem (2020) 63: 15187-15217 [PMID:33111525] |
| Transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6184] [UniProtKB: Q63380] | ||||||||
| ChEMBL | Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry | B | 5.7 | pKi | 2000 | nM | Ki | Bioorg Med Chem Lett (2009) 19: 58-61 [PMID:19038547] |
| ChEMBL | Displacement of [3H]-dopamine from rat cerebral cortex NET after 7 mins | B | 6.8 | pKi | 158 | nM | Ki | Bioorg Med Chem (2014) 22: 311-324 [PMID:24315194] |
| Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1940] [GtoPdb: 529] [UniProtKB: Q13936] | ||||||||
| ChEMBL | Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in dog ventricular myocytes | F | 5.27 | pIC50 | 5400 | nM | IC50 | IC50 data for the L-type calcium channel extracted from a set of literature articles |
| Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3762] [GtoPdb: 529] [UniProtKB: P22002] | ||||||||
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes | F | 5.55 | pIC50 | 2820 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| 5-HT2B receptor in Human [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| GtoPdb | - | - | 5.3 | pKi | - | - | - | Circulation (2000) 102: 2836-41 [PMID:11104741] |
| Kir3.2 in Mouse [GtoPdb: 435] [UniProtKB: P48542] | ||||||||
| GtoPdb | - | - | 4.8 | pIC50 | - | - | - | Br J Pharmacol (2003) 138: 1119-28 [PMID:12684268] |
| Plasma membrane monoamine transporter in Human [GtoPdb: 1120] [UniProtKB: Q7RTT9] | ||||||||
| GtoPdb | - | - | 4.64 | pKi | 22700 | nM | Ki |
Mol Pharmacol (2005) 68: 1397-407 [PMID:16099839]; Clin Pharmacol Ther (2016) 100: 489-499 [PMID:27506881] |
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]
