desipramine [Ligand Id: 2399] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL72 (Desipramina, Desipramine, Imipramine, demethyl-, Monodemethylimipramine, N-desmethylimipramine, Norimipramine) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| 5-HT2A receptor/5-hydroxytryptamine receptor 2A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| ChEMBL | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2A receptor expressed NIH3T3 cells | B | 6.8 | pKi | 160 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 655-658 [PMID:11266163] |
| α1A-adrenoceptor/Alpha-1A adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL319] [GtoPdb: 22] [UniProtKB: P43140] | ||||||||
| ChEMBL | Inhibition of binding of [3H]imipramine to imipramine receptor in rat brain | B | 6.89 | pIC50 | 130 | nM | IC50 | J Med Chem (1990) 33: 2899-2905 [PMID:1976813] |
| ChEMBL | Compound was tested for its inhibitory activity against Alpha-1 adrenergic receptor | B | 9.6 | pIC50 | 0.25 | nM | IC50 | J Med Chem (1999) 42: 3154-3162 [PMID:10447960] |
| H1 receptor/Histamine H1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4701] [GtoPdb: 262] [UniProtKB: P31390] | ||||||||
| ChEMBL | Compound tested for its inhibitory activity against Histamine H1 receptor | B | 9.1 | pIC50 | 0.8 | nM | IC50 | J Med Chem (1999) 42: 3154-3162 [PMID:10447960] |
| Histamine H2 receptor in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2882] [UniProtKB: P47747] | ||||||||
| ChEMBL | Inhibitory activity against brain adenylate cyclase Histamine H2 receptor | F | 5.42 | pIC50 | 3800 | nM | IC50 | J Med Chem (1999) 42: 3154-3162 [PMID:10447960] |
| H3 receptor/Histamine H3 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL264] [GtoPdb: 264] [UniProtKB: Q9Y5N1] | ||||||||
| ChEMBL | Displacement of [3H]N-R-methylhistamine from human H3 receptor isolated from C6 cells | B | 5.3 | pKi | >5000 | nM | Ki | J Med Chem (2010) 53: 7869-7873 [PMID:20945906] |
| H3 receptor/Histamine H3 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4124] [GtoPdb: 264] [UniProtKB: Q9QYN8] | ||||||||
| ChEMBL | Displacement of [3H]N-R-methylhistamine from rat H3 receptor | B | 5.3 | pKi | >5000 | nM | Ki | J Med Chem (2010) 53: 7869-7873 [PMID:20945906] |
| Norepinephrine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL304] [UniProtKB: Q9WTR4] | ||||||||
| ChEMBL | Ability to inhibit reuptake of norepinephrine ([3H]NE) at norepinephrine transporter of rat parietal/occipital region | B | 8.13 | pKi | 7.36 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 3565-3569 [PMID:14505672] |
| ChEMBL | Inhibitory constant against reuptake of [3H]NE at norepinephrine transporter of rat parietal-occipital cortex | B | 8.13 | pKi | 7.36 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2461-2465 [PMID:15863297] |
| ChEMBL | Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes | B | 9.19 | pKi | 0.65 | nM | Ki | J Med Chem (1987) 30: 1433-1454 [PMID:3039136] |
| ChEMBL | Inhibition of norepinephrine reuptake in rat whole brains minus cerebellar | F | 4.87 | pIC50 | 13500 | nM | IC50 | J Med Chem (1989) 32: 1805-1813 [PMID:2754707] |
| ChEMBL | Inhibition of neuronal uptake of Noradrenaline in rat brain homogenate | F | 5.77 | pIC50 | 1700 | nM | IC50 | J Med Chem (1997) 40: 3516-3523 [PMID:9357518] |
| ChEMBL | Inhibition of uptake of tritiated norepinephrine (NE) into rat brain synaptosomes | F | 6.82 | pIC50 | 150 | nM | IC50 | J Med Chem (1990) 33: 2899-2905 [PMID:1976813] |
| ChEMBL | In vitro inhibition of accumulation of (-)-[3H]Norepinephrine (NA) in mouse brain slices | F | 7.15 | pIC50 | 70 | nM | IC50 | J Med Chem (1981) 24: 1499-1507 [PMID:6458703] |
| Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| ChEMBL | Antimalarial activity after 72 hrs against chloroquine-resistant Plasmodium falciparum Dd2 infected human erythrocytes by SYBR green assay | F | 4.78 | pIC50 | 16600 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4133-4140 [PMID:17846138] |
| ChEMBL | Antimicrobial activity against Plasmodium falciparum | F | 4.92 | pIC50 | 12000 | nM | IC50 | Bioorg Med Chem (2010) 18: 2225-2231 [PMID:20185316] |
| ChEMBL | Antimalarial activity after 72 hrs against chloroquine-sensitive Plasmodium falciparum D6 infected human erythrocytes by SYBR green assay | F | 4.94 | pIC50 | 11400 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4133-4140 [PMID:17846138] |
| Nav1.5/Sodium channel protein type 5 subunit alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1980] [GtoPdb: 582] [UniProtKB: Q14524] | ||||||||
| ChEMBL | Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA | F | 5.82 | pIC50 | 1520 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
| DAT/Sodium-dependent dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959] | ||||||||
| ChEMBL | Uptake Assay Protocol: DAT: This protocol was designed to measure inhibition of uptake by the human dopamine transporter. The reagents were human DAT (HEK293F) cells, GBR 12909 (Sigma), nomifensine, neurotransmitter transporter uptake assay kit (Molecular Devices), freestyle 293 expression medium (Invitrogen), 10× Hank's Balanced Salt Solution (HBSS; Invitrogen), 1 M HEPES (Mediatech), Biocoat poly-D-lysine 96-well, black, clear plates (Becton, Dickinson), and 500 pt polypropylene U-bottom 96-well plates (Fisher). The Assay Buffer (AB) was 1×HBSS and 0.02 M HEPES.The HEK293F cells were transfected with the human dopamine transporter and frozen in 1 mL aliquots at about 1E+07 cells/mL. On the day of the experiment, the cells were removed from −80° C. or liquid nitrogen and thawed in a room temperature water bath. The cells were dilute to about 1-2E+06 with Freestyle medium. A 1 mL sample (1:2 dilution) was prepared, and the cells were counted. The cells were spun at 1100 rpm for 5 minutes, and the medium was aspirated off. The cells were resuspend in medium at 1.5E+06 cells/mL for about 60,000 cells per well. 40 μL of cells were dispensed per well in the Biocoat plates. The plates were spun at 1100 rpm for 1 minute to improve homogeneity of the cell layer and were incubated at 37° C. for a minimum of 3 hours.12 μL of test compound (10 mM) in DMSO was added to the wells, and nomifensine was used as a control. GBR 12909 (final assay concentration of 10 μM) was used for background signal. The neurotransmitter transporter dye was prepared in AB prior to use. | B | 5.34 | pKi | 4566 | nM | Ki | US-9944618-B2. Inhibiting neurotransmitter reuptake (2018) |
| ChEMBL | Compound was tested for inhibition of [3H]WIN-35428 binding to the human (DAT) dopamine transporter | B | 5.52 | pKi | 3000 | nM | Ki | J Med Chem (1999) 42: 2721-2736 [PMID:10425082] |
| ChEMBL | In vitro competitive binding versus [N-methyl-3H]WIN-35428 in murine kidney cells transfected with cDNA for human dopamine transporter (DAT) | B | 9.31 | pKi | 0.49 | nM | Ki | J Med Chem (2003) 46: 925-935 [PMID:12620070] |
| ChEMBL | Inhibition of [3H]dopamine uptake at human DAT expressed in HEK293 cells | B | 4.09 | pIC50 | 82000 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4133-4140 [PMID:17846138] |
| ChEMBL | Inhibition of [3H]dopamine uptake in human DAT P387A mutant transfected HEK293 cells | B | 4.3 | pIC50 | 50500 | nM | IC50 | Science (2007) 317: 1390-1393 [PMID:17690258] |
| ChEMBL | Inhibition of [3H]dopamine uptake in human wild type DAT transfected HEK293 cells | B | 4.32 | pIC50 | 47900 | nM | IC50 | Science (2007) 317: 1390-1393 [PMID:17690258] |
| ChEMBL | Inhibition of [3H]dopamine uptake in human DAT I390V mutant transfected HEK293 cells | B | 4.75 | pIC50 | 17700 | nM | IC50 | Science (2007) 317: 1390-1393 [PMID:17690258] |
| ChEMBL | Inhibition of [3H]dopamine uptake in human DAT F472L mutant transfected HEK293 cells | B | 5 | pIC50 | 9900 | nM | IC50 | Science (2007) 317: 1390-1393 [PMID:17690258] |
| DAT/Sodium-dependent dopamine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977] | ||||||||
| ChEMBL | Ability to inhibit reuptake of dopamine ([3H]DA) at dopamine transporter of rat striatum | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 3565-3569 [PMID:14505672] |
| ChEMBL | Inhibitory constant against reuptake of [3H]-DA at dopamine transporter of rat striatal membranes | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2461-2465 [PMID:15863297] |
| ChEMBL | Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes | B | 5.19 | pKi | 6530 | nM | Ki | J Med Chem (1987) 30: 1433-1454 [PMID:3039136] |
| ChEMBL | Inhibitory constant towards reuptake of [125I]-12 from dopamine transporter in rat striatal membranes | B | 5.4 | pKi | >4000 | nM | Ki | J Med Chem (1994) 37: 1535-1542 [PMID:8182712] |
| ChEMBL | Inhibition of the reuptake of dopamine in rat corpora striata. | F | 5.11 | pIC50 | 7800 | nM | IC50 | J Med Chem (1989) 32: 1805-1813 [PMID:2754707] |
| NET/Sodium-dependent noradrenaline transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL222] [GtoPdb: 926] [UniProtKB: P23975] | ||||||||
| ChEMBL | Inhibition of human NET | B | 9.08 | pKd | 0.83 | nM | Kd | J Med Chem (2010) 53: 7869-7873 [PMID:20945906] |
| ChEMBL | Displacement of [3H]DMI from norepinephrine transporter | B | 6.24 | pKi | 580 | nM | Ki | J Nat Prod (1993) 56: 441-455 [PMID:8496700] |
| ChEMBL | Inhibition of [3H]norepinephrine reuptake at norepinephrine transporter | B | 8.29 | pKi | 5.11 | nM | Ki | J Med Chem (2009) 52: 5872-5879 [PMID:19791802] |
| ChEMBL | Inhibition of human NET-mediated norepinephrine uptake in MDCK-Net6 cells | B | 8.47 | pKi | 3.4 | nM | Ki | J Med Chem (2010) 53: 4511-4521 [PMID:20462211] |
| ChEMBL | Displacement of [3H]-Nisoxetine from human NET expressed in HEK cell membrane assessed as inhibition constant by radioligand binding assay | B | 8.52 | pKi | 3 | nM | Ki | Bioorg Med Chem (2021) 51: 116509-116509 [PMID:34798381] |
| ChEMBL | Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells measured after 30 mins | B | 8.6 | pKi | 2.5 | nM | Ki | J Med Chem (2016) 59: 6329-6343 [PMID:27309376] |
| ChEMBL | Inhibition of [3H]nisoxetine binding to human NET expressed in MDCK-Net6 cells by plate scintillation counting | B | 8.68 | pKi | 2.1 | nM | Ki | J Med Chem (2009) 52: 5703-5711 [PMID:19722525] |
| ChEMBL | Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells | B | 8.68 | pKi | 2.1 | nM | Ki | J Med Chem (2008) 51: 4038-4049 [PMID:18557608] |
| ChEMBL | Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells | B | 8.68 | pKi | 2.1 | nM | Ki | J Med Chem (2010) 53: 4511-4521 [PMID:20462211] |
| ChEMBL | Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells | B | 8.68 | pKi | 2.1 | nM | Ki | J Med Chem (2011) 54: 6824-6831 [PMID:21916421] |
| GtoPdb | - | - | 8.68 | pKi | 2.1 | nM | Ki | J Med Chem (2010) 53: 4511-21 [PMID:20462211] |
| ChEMBL | Uptake Assay Protocol: NET: This protocol was designed to measure inhibition of uptake by the human norepinephrine transporter. The reagents were human NET (HEK293F) cells, desipramine (Sigma), nomifensine, neurotransmitter transporter uptake assay kit (Molecular Devices), freestyle 293 expression medium (Invitrogen), 10× Hank's Balanced Salt Solution (HBSS; Invitrogen), 1 M HEPES (Mediatech), Biocoat poly-D-lysine 96-well, black, clear plates (Becton, Dickinson), and 500 μL polypropylene U-bottom 96-well plates (Fisher). The Assay Buffer (AB) was 1×HBSS and 0.02 M HEPES.The HEK293F cells were transfected with the human norepinephrine transporter and frozen in 1 mL aliquots at about 1E+07 cells/mL. On the day of the experiment, the cells were removed from −80° C. or liquid nitrogen and thawed in a room temperature water bath. The cells were dilute to about 1-2E+06 with Freestyle medium. A 1 mL sample (1:2 dilution) was prepared, and the cells were counted. The cells were spun at 1100 rpm for 5 minutes, and the medium was aspirated off. The cells were resuspend in medium at 1.5E+06 cells/mL for about 60,000 cells per well. 40 μL of cells were dispensed per well in the Biocoat plates. The plates were spun at 1100 rpm for 1 minute to improve homogeneity of the cell layer and were incubated at 37° C. for a minimum of 3 hours. | B | 8.74 | pKi | 1.8 | nM | Ki | US-9944618-B2. Inhibiting neurotransmitter reuptake (2018) |
| ChEMBL | Displacement of [3H]Nisoxetine from norepinephrine transporter (unknown origin) | B | 8.94 | pKi | 1.15 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 576-579 [PMID:24365159] |
| ChEMBL | Displacement of [3H]Nisoxetine from norepinephrine transporter (unknown origin) | B | 8.96 | pKi | 1.1 | nM | Ki | Bioorg Med Chem Lett (2014) 24: 576-579 [PMID:24365159] |
| ChEMBL | Binding affinity at NET | B | 9 | pKi | 1 | nM | Ki | Bioorg Med Chem (2007) 15: 616-625 [PMID:17123820] |
| ChEMBL | Displacement of [125I]RTI55 from human recombinant norepinephrine transporter expressed in MDCK cells after 3 hrs | B | 9.04 | pKi | 0.92 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 1834-1838 [PMID:23403082] |
| ChEMBL | Inhibition of norepinephrine reuptake at NET | B | 9.22 | pKi | 0.6 | nM | Ki | Bioorg Med Chem (2009) 17: 7802-7815 [PMID:19836247] |
| ChEMBL | Inhibition of [3H]norepinephrine uptake at human NET expressed in HEK293 cells | B | 8.38 | pIC50 | 4.2 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4133-4140 [PMID:17846138] |
| ChEMBL | Inhibition of norepinephrine transporter (unknown origin) | B | 8.41 | pIC50 | 3.92 | nM | IC50 | Eur J Med Chem (2022) 229: 114045-114045 [PMID:34922191] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in MDCK cells | B | 8.41 | pIC50 | 3.9 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4929-4931 [PMID:18771916] |
| ChEMBL | Inhibition of [3H]norepinephrine uptake at human NET expressed in MDCK-Net6 cells by scintillation counting | B | 8.47 | pIC50 | 3.4 | nM | IC50 | J Med Chem (2009) 52: 5703-5711 [PMID:19722525] |
| ChEMBL | Inhibition of human NET expressed in MDCK-Net6 cells | B | 8.47 | pIC50 | 3.4 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 5807-5810 [PMID:19713106] |
| ChEMBL | Inhibition of norepinephrine uptake at human norepinephrine transporter expressed in MDCK-Net6 cells | B | 8.47 | pIC50 | 3.4 | nM | IC50 | J Med Chem (2008) 51: 4038-4049 [PMID:18557608] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells | B | 8.47 | pIC50 | 3.4 | nM | IC50 | J Med Chem (2010) 53: 2051-2062 [PMID:20131864] |
| ChEMBL | Inhibition of norepinephrine reuptake at human NET expressed in MDCK-Net6 cells | B | 8.47 | pIC50 | 3.4 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 5029-5032 [PMID:19632110] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells | B | 8.47 | pIC50 | 3.4 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 2464-2467 [PMID:19329313] |
| ChEMBL | Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells | B | 8.47 | pIC50 | 3.4 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 6067-6070 [PMID:18951020] |
| ChEMBL | Inhibition of human NET transfected in MDCK-Net6 cells | B | 8.47 | pIC50 | 3.4 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 2809-2812 [PMID:20378347] |
| ChEMBL | Inhibition of human NET expressed in MDCK-Net6 cells assessed as inhibition of norepinephrine uptake | B | 8.47 | pIC50 | 3.4 | nM | IC50 | J Med Chem (2011) 54: 6824-6831 [PMID:21916421] |
| ChEMBL | Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells | B | 8.48 | pIC50 | 3.3 | nM | IC50 | J Med Chem (2010) 53: 2051-2062 [PMID:20131864] |
| ChEMBL | Displacement of [3H]Nisoxetine from human recombinant NET over-expressed in dog MDCK cells | B | 8.82 | pIC50 | 1.5 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 5515-5518 [PMID:24012181] |
| ChEMBL | Displacement of [125I]RTI-55 from human NET expressed in MDCK cell membrane | B | 9.03 | pIC50 | 0.93 | nM | IC50 | J Nat Prod (2006) 69: 1305-1309 [PMID:16989524] |
| ChEMBL | Displacement of [125I]RTI55 from human recombinant norepinephrine transporter expressed in MDCK cells after 3 hrs | B | 9.03 | pIC50 | 0.93 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1834-1838 [PMID:23403082] |
| NET/Sodium-dependent noradrenaline transporter in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2370] [GtoPdb: 926] [UniProtKB: O55192] | ||||||||
| ChEMBL | Inhibition of noradrenaline transporter in NMRI albino mouse brain assessed as [3H]NA accumulation in hypothalamus after 5 mins | B | 5.8 | pIC50 | 1600 | nM | IC50 | J Med Chem (1978) 21: 78-82 [PMID:22757] |
| SERT/Sodium-dependent serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
| GtoPdb | Assay using HEK-293 cells transfected with hSERT | - | 6.79 | pKi | 163 | nM | Ki | J Pharmacol Exp Ther (1997) 283: 1305-22 [PMID:9400006] |
| ChEMBL | Inhibition of SERT | B | 7.7 | pKi | 20 | nM | Ki | J Med Chem (2010) 53: 7869-7873 [PMID:20945906] |
| ChEMBL | Uptake Assay Protocol: SERT: This protocol was designed to measure inhibition of uptake by the human serotonin transporter. The reagents were human SERT (HEK293F) cells, fluoxetine (Sigma), nomifensine, neurotransmitter transporter uptake assay kit (Molecular Devices), freestyle 293 expression medium (Invitrogen), 10× Hank's Balanced Salt Solution (HBSS; Invitrogen), 1 M HEPES (Mediatech), Biocoat poly-D-lysine 96-well, black, clear plates (Becton, Dickinson), and 500 μL polypropylene U-bottom 96-well plates (Fisher). The Assay Buffer (AB) was 1λ HBSS and 0.02 M HEPES.The HEK293F cells were transfected with the human serotonin transporter and frozen in 1 mL aliquots at about 1E+07 cells/mL. On the day of the experiment, the cells were removed from −80° C. or liquid nitrogen and thawed in a room temperature water bath. The cells were dilute to about 1-2E+06 with Freestyle medium. A 1 mL sample (1:2 dilution) was prepared, and the cells were counted. The cells were spun at 1100 rpm for 5 minutes, and the medium was aspirated off. The cells were resuspend in medium at 1.5E+06 cells/mL for about 60,000 cells per well. 40 μL of cells were dispensed per well in the Biocoat plates. The plates were spun at 1100 rpm for 1 minute to improve homogeneity of the cell layer and were incubated at 37° C. for a minimum of 3 hours. | B | 7.72 | pKi | 19.1 | nM | Ki | US-9944618-B2. Inhibiting neurotransmitter reuptake (2018) |
| ChEMBL | Inhibition of human SERT expressed in HEK293-MSR cells by 5-HT uptake assay | B | 6.25 | pIC50 | 560 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1220-1224 [PMID:23385211] |
| ChEMBL | Inhibition of [3H]serotonin uptake in human wild type SERT transfected HEK293 cells | B | 6.97 | pIC50 | 108 | nM | IC50 | Science (2007) 317: 1390-1393 [PMID:17690258] |
| ChEMBL | Inhibition of [3H]5HT uptake at human SERT expressed in HEK293 cells | B | 7.19 | pIC50 | 64 | nM | IC50 | Antimicrob Agents Chemother (2007) 51: 4133-4140 [PMID:17846138] |
| ChEMBL | Inhibition of [3H]serotonin uptake in human SERT K490T mutant transfected HEK293 cells | B | 7.28 | pIC50 | 52.4 | nM | IC50 | Science (2007) 317: 1390-1393 [PMID:17690258] |
| SERT/Sodium-dependent serotonin transporter in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4642] [GtoPdb: 928] [UniProtKB: Q60857] | ||||||||
| ChEMBL | Inhibition of 5-HT transporter in NMRI albino mouse brain assessed as [3H]5-HT accumulation in hypothalamus after 5 mins | B | 5.03 | pIC50 | 9300 | nM | IC50 | J Med Chem (1978) 21: 78-82 [PMID:22757] |
| SERT/Sodium-dependent serotonin transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL313] [GtoPdb: 928] [UniProtKB: P31652] | ||||||||
| ChEMBL | Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter SERT in rat synaptosomes | B | 6.74 | pKi | 182 | nM | Ki | J Med Chem (1987) 30: 1433-1454 [PMID:3039136] |
| ChEMBL | Ability to inhibit reuptake of serotonin ([3H]5-HT) at serotonin transporter of rat midbrian | B | 6.79 | pKi | 163 | nM | Ki | Bioorg Med Chem Lett (2003) 13: 3565-3569 [PMID:14505672] |
| ChEMBL | Inhibitory constant against reuptake of [3H]5-HT at serotonin transporter of rat midbrain cortex | B | 6.79 | pKi | 163 | nM | Ki | Bioorg Med Chem Lett (2005) 15: 2461-2465 [PMID:15863297] |
| GtoPdb | - | - | 7.7 | pKi | 20 | nM | Ki | J Med Chem (2010) 53: 7869-73 [PMID:20945906] |
| ChEMBL | Inhibition of serotonin reuptake in rat whole brains without cerebellum | F | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (1989) 32: 1805-1813 [PMID:2754707] |
| ChEMBL | In vitro inhibition of accumulation of [14C]5-HT (5-HT) in mouse brain slices | F | 4.92 | pIC50 | 12000 | nM | IC50 | J Med Chem (1981) 24: 1499-1507 [PMID:6458703] |
| ChEMBL | Inhibition of uptake of tritiated serotonin (5-HT) into rat brain synaptosomes | F | 5.52 | pIC50 | 3000 | nM | IC50 | J Med Chem (1990) 33: 2899-2905 [PMID:1976813] |
| Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake in OCT1-expressing HeLa cells | F | 5.27 | pKi | 5360 | nM | Ki | J Pharmacol Exp Ther (1998) 286: 354-361 [PMID:9655880] |
| ChEMBL | Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT1 expressed in HEK293 cells by confocal microscopy | B | 4.25 | pIC50 | 56800 | nM | IC50 | J Med Chem (2008) 51: 5932-5942 [PMID:18788725] |
| ChEMBL | Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptake of ASP+ after 2 mins by fluorescence assay | B | 5.04 | pIC50 | 9180 | nM | IC50 | J Med Chem (2017) 60: 2685-2696 [PMID:28230985] |
| Organic cation transporter 1/Solute carrier family 22 member 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073670] [GtoPdb: 1019] [UniProtKB: Q63089] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes | F | 5.55 | pKi | 2800 | nM | Ki | Nature (1994) 372: 549-552 [PMID:7990927] |
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes | F | 4.76 | pIC50 | 17500 | nM | IC50 | Am J Physiol Renal Physiol (2001) 281: F454-F468 [PMID:11502595] |
| Organic cation transporter 2/Solute carrier family 22 member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes | F | 4.8 | pKi | 16000 | nM | Ki | DNA Cell Biol (1997) 16: 871-881 [PMID:9260930] |
| Organic cation transporter 2/Solute carrier family 22 member 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1770032] [GtoPdb: 1020] [UniProtKB: Q9R0W2] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes | F | 5 | pIC50 | 10000 | nM | IC50 | Am J Physiol Renal Physiol (2001) 281: F454-F468 [PMID:11502595] |
| Organic cation transporter 3/Solute carrier family 22 member 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073673] [GtoPdb: 1021] [UniProtKB: O75751] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of MPP+ uptake in OCT3-expressing HRPE cells | F | 4.85 | pKi | 14000 | nM | Ki | Am J Physiol Renal Physiol (2000) 279: F449-F458 [PMID:10966924] |
| Organic cation transporter 3/Solute carrier family 22 member 3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1770033] [GtoPdb: 1021] [UniProtKB: O88446] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 1 uM) in OCT3-expressing HRPE cells | F | 4.17 | pIC50 | 68000 | nM | IC50 | J Biol Chem (1998) 273: 32776-32786 [PMID:9830022] |
| Organic cation/carnitine transporter 1/Solute carrier family 22 member 4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073667] [GtoPdb: 1022] [UniProtKB: Q9R141] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake in Octn1-HRPE cells | F | 4.1 | pIC50 | 80000 | nM | IC50 | Biochim Biophys Acta (2000) 1466: 315-327 [PMID:10825452] |
| Transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6184] [UniProtKB: Q63380] | ||||||||
| ChEMBL | Displacement of [3H]nisoxetine from rat NET in rat cerebral cortex | B | 9.11 | pKi | 0.78 | nM | Ki | J Med Chem (2010) 53: 7869-7873 [PMID:20945906] |
| Cav1.2/Voltage-dependent L-type calcium channel subunit alpha-1C 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 | 4.93 | pIC50 | 11700 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| Voltage-dependent L-type calcium channel subunit alpha-1C in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366456] [UniProtKB: O35505] | ||||||||
| ChEMBL | Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes | F | 5.77 | pIC50 | 1709 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes | F | 5.77 | pIC50 | 1709 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| Cav2.2/Voltage-dependent N-type calcium channel subunit alpha-1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4478] [GtoPdb: 533] [UniProtKB: Q00975] | ||||||||
| ChEMBL | Inhibition of endogenous human CaV2.2 in human SH-SY5Y cells in presence of nifedipine by Calcium 4 dye based calcium influx fluorescence-imaging assay | B | 4.96 | pIC50 | 11000 | nM | IC50 | RSC Med Chem (2022) 13: 183-195 [PMID:35308021] |
| Kv11.1/Voltage-gated inwardly rectifying potassium channel KCNH2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL240] [GtoPdb: 572] [UniProtKB: Q12809] | ||||||||
| ChEMBL | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | B | 4.64 | pKi | 22816.6 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | B | 4.56 | pIC50 | 27849.7 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ChEMBL | Activity Assay: HERG: The pre- and post-compound hERG current was evoked by a single voltage pulse consisting of a 20 s period holding at −70 mV, a 160 ms step to −60 mV (to obtain an estimate of leak), a 100 ms step back to −70 mV, a 1 s step to +40 mV, a 2 s step to −30 mV, and finally a 500 ms step to −70 mV. In between the pre- and post-compound voltage pulses, there was no clamping of the membrane potential. Currents were leak-subtracted based on the estimate of current evoked during the +10 mV step at the start of the voltage pulse protocol. The current signal was sampled at 2.5 k Hz. For each compound, the IC50 value was determined. | B | 4.89 | pIC50 | 13000 | nM | IC50 | US-9944618-B2. Inhibiting neurotransmitter reuptake (2018) |
| 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 | Inhibition of human ERG channel | B | 5.86 | pIC50 | 1390 | nM | IC50 | J Med Chem (2009) 52: 4266-4276 [PMID:19534531] |
| ChEMBL | Inhibition of human ERG channel | B | 5.86 | pIC50 | 1390 | nM | IC50 | J Med Chem (2009) 52: 4266-4276 [PMID:19534531] |
| ChEMBL | Inhibition of hERG K channel | F | 5.86 | pIC50 | 1390 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
| ChEMBL | Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique | B | 5.86 | pIC50 | 1380.38 | nM | IC50 | Bioorg Med Chem (2008) 16: 6252-6260 [PMID:18448342] |
| ChEMBL | Inhibition of human ERG | B | 5.86 | pIC50 | 1380.38 | nM | IC50 | Eur J Med Chem (2011) 46: 618-630 [PMID:21185626] |
| ChEMBL | Inhibitory concentration against potassium channel HERG | B | 5.86 | pIC50 | 1380.38 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 2886-2890 [PMID:15911273] |
| Kir3.2 in Mouse [GtoPdb: 435] [UniProtKB: P48542] | ||||||||
| GtoPdb | - | - | 4.4 | pIC50 | - | - | - | Neuropsychopharmacology (2004) 29: 1841-51 [PMID:15150531] |
| Kir3.4 in Mouse [GtoPdb: 437] [UniProtKB: P48545] | ||||||||
| GtoPdb | - | - | 4.3 | pIC50 | - | - | - | Neuropsychopharmacology (2004) 29: 1841-51 [PMID:15150531] |
| Plasma membrane monoamine transporter in Human [GtoPdb: 1120] [UniProtKB: Q7RTT9] | ||||||||
| GtoPdb | - | - | 4.49 | pKi | 32600 | 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 36:
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]
