cisapride [Ligand Id: 240] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL1729 (Cisaprida, Cisapride, R-51,619, R-51619) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| hydroxymethylglutaryl-CoA reductase/3-hydroxy-3-methylglutaryl-coenzyme A reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL402] [GtoPdb: 639] [UniProtKB: P04035] | ||||||||
| ChEMBL | DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) | B | 5.47 | pIC50 | 3370 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-HT1A receptor/5-hydroxytryptamine receptor 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908] | ||||||||
| ChEMBL | Binding affinity was evaluated by 5-hydroxytryptamine 1A receptor agonism in the pig cortex by displacing 8-OH-DPAT | B | 5.7 | pKd | 5.7 | - | pKD | J Med Chem (1995) 38: 2326-2330 [PMID:7608898] |
| ChEMBL | Binding affinity to human serotonin 5-HT1A receptor | B | 6.1 | pKi | 794.33 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4210-4215 [PMID:23756062] |
| 5-HT1A receptor/5-hydroxytryptamine receptor 1A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) | B | 5.79 | pKi | 1617 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT1A radioligand binding (ligand: [3H] 8-OH-DPAT) | B | 5.55 | pIC50 | 2829 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-HT2A receptor/5-hydroxytryptamine receptor 2A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| ChEMBL | Binding affinity to human serotonin 5-HT2A receptor | B | 8.2 | pKi | 6.31 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4210-4215 [PMID:23756062] |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | B | 8.96 | pKi | 1.1 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) | B | 8.41 | pIC50 | 3.86 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-hydroxytryptamine receptor 2A in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3446] [UniProtKB: Q75Z89] | ||||||||
| ChEMBL | Compound was evaluated for the binding affinity at 5- HT2 receptor | B | 8.14 | pKi | 7.2 | nM | Ki | J Med Chem (1995) 38: 2326-2330 [PMID:7608898] |
| 5-HT2A receptor/5-hydroxytryptamine receptor 2A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL322] [GtoPdb: 6] [UniProtKB: P14842] | ||||||||
| ChEMBL | Binding affinity was evaluated by 5-hydroxytryptamine 2A receptor agonism in the rat cortex by displacing ketanserin | B | 8.1 | pKd | 8.1 | - | pKD | J Med Chem (1995) 38: 2326-2330 [PMID:7608898] |
| 5-HT2B receptor/5-hydroxytryptamine receptor 2B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 7.15 | pKi | 70 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | Binding affinity to human serotonin 5-HT2B receptor | B | 7.4 | pKi | 39.81 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4210-4215 [PMID:23756062] |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 6.96 | pIC50 | 110 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-HT2C receptor/5-hydroxytryptamine receptor 2C 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 | 6.4 | pKi | 402 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) | B | 6.12 | pIC50 | 767 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-HT3A/5-hydroxytryptamine receptor 3A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1899] [GtoPdb: 373] [UniProtKB: P46098] | ||||||||
| ChEMBL | Binding affinity to serotonin 5-HT3 receptor (unknown origin) | B | 5.7 | pKi | 1995.26 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4210-4215 [PMID:23756062] |
| ChEMBL | Binding affinity to human recombinant 5HT3 receptor | B | 5.7 | pKi | 1995.26 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4210-4215 [PMID:23756062] |
| 5-HT3A/5-hydroxytryptamine receptor 3A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2411] [GtoPdb: 373] [UniProtKB: P35563] | ||||||||
| ChEMBL | Compound was evaluated in vivo for the antagonistic activity towards 5-hydroxytryptamine 3 receptor | F | 5.82 | pKi | 1500 | nM | Ki | Bioorg Med Chem Lett (1992) 2: 1613-1618 |
| 5-HT4 receptor/5-hydroxytryptamine receptor 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1875] [GtoPdb: 9] [UniProtKB: Q13639] | ||||||||
| ChEMBL | Binding affinity to serotonin 5-HT4 receptor (unknown origin) | B | 6.9 | pKi | 125.89 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4210-4215 [PMID:23756062] |
| ChEMBL | Binding affinity to human recombinant 5HT4 receptor | B | 7 | pKi | 100 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4210-4215 [PMID:23756062] |
| GtoPdb | - | - | 7.4 | pKi | - | - | - |
J Neurochem (1997) 69: 1810-9 [PMID:9349523]; EMBO J (1995) 14: 2806-15 [PMID:7796807]; J Neurochem (2000) 74: 478-89 [PMID:10646498]; Naunyn Schmiedebergs Arch Pharmacol (2001) 363: 146-60 [PMID:11218067]; Br J Pharmacol (2000) 129: 771-81 [PMID:10683202]; Br J Pharmacol (2000) 131: 827-35 [PMID:11030734] |
| ChEMBL | Binding affinity towards Serotonin 5-hydroxytryptamine 4 receptor | B | 7.54 | pKi | 29 | nM | Ki | J Med Chem (2003) 46: 2017-2022 [PMID:12747773] |
| ChEMBL | Binding Assay: The binding affinity of the compounds for a human 5-HT4 receptor was assayed according to the method as disclosed in the literature [Wyngaert et al., Journal of Neurochemistry, (1997) 69, 1810-1819]. For this purpose, COS-7 cells expressing the human 5-HT4 receptor were constructed and homogenized to obtain membrane homogenates which were then used in binding assay experiments. For the binding assay, the membrane homogenates were respectively mixed and incubated with different concentrations of test materials and [H3]-GR113808 (Amersham Biosciences). The concentrations of the individual test materials were set to 4 uM, 1 uM, 0.25 uM, and 0.0625 uM, respectively, and the concentration of [H3]-GR113808 was set to 0.595 nM. After the incubation was completed, the reaction products were collected in GF/B glass fiber filters using a Packard cell harvester, and the bound radioactivity was then determined using a liquid cell scintillation counter (Packard TopCount NXT). | B | 9.44 | pIC50 | 0.36 | nM | IC50 | US-9221790-B2. Benzamide derivatives (2015) |
| ChEMBL | Agonist activity at human recombinant 5HT4 receptor assessed as cAMP accumulation | F | 7.1 | pEC50 | 79.43 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 4210-4215 [PMID:23756062] |
| 5-HT4 receptor in Mouse [GtoPdb: 9] [UniProtKB: P97288] | ||||||||
| GtoPdb | - | - | 7.5 | pKi | - | - | - | FEBS Lett (1996) 398: 19-25 [PMID:8946946] |
| 5-HT4 receptor/5-hydroxytryptamine receptor 4 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4317] [GtoPdb: 9] [UniProtKB: Q62758] | ||||||||
| GtoPdb | - | - | 8 | pKi | - | - | - |
Eur J Pharmacol (1996) 304: 231-5 [PMID:8813606]; Neuropharmacology (1997) 36: 671-9 [PMID:9225293] |
| ChEMBL | Compound was evaluated for the agonistic activity towards 5-hydroxytryptamine 4 receptor using the rat tunica muscularis mucosae (TMM) esophagus strip assay | F | 7.26 | pEC50 | 55 | nM | EC50 | Bioorg Med Chem Lett (1992) 2: 1613-1618 |
| ChEMBL | Agonism at 5HT4 receptor in rat tunica muscularis mucosa | F | 7.26 | pEC50 | 54.7 | nM | EC50 | J Med Chem (2006) 49: 1125-1139 [PMID:16451077] |
| 5-hydroxytryptamine receptor 4 in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5017] [UniProtKB: O70528] | ||||||||
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) | B | 7.35 | pKi | 45 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | Displacement of [3H]GR113808 from Dunkin-Hartley guinea pig brain striatum 5HT4R after 30 mins | B | 7.7 | pKi | 20 | nM | Ki | Eur J Med Chem (2014) 82: 36-46 [PMID:24871995] |
| ChEMBL | Displacement of [3H]-GR113808 from 5-HT4R in Dunkin-Hartley guinea pig straitum nuclear membranes after 2 hrs by filter binding method | B | 7.7 | pKi | 20 | nM | Ki | Medchemcomm (2018) 9: 1466-1471 [PMID:30288221] |
| ChEMBL | Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2006) 49: 1125-1139 [PMID:16451077] |
| ChEMBL | Inhibition of [3H]GR-113808 binding to guinea pig striatum 5-hydroxytryptamine 4 receptor | B | 7.84 | pKi | 14.3 | nM | Ki | J Med Chem (2003) 46: 702-715 [PMID:12593651] |
| ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT4 radioligand binding (ligand: [3H] GR-113808) | B | 6.56 | pIC50 | 273 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ChEMBL | Induction of 5-HT4 receptor-mediated contraction in guinea pig longitudinal muscle myenteric plexus | B | 7 | pEC50 | 100 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 4210-4215 [PMID:23756062] |
| 5-HT7 receptor/5-hydroxytryptamine receptor 7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3155] [GtoPdb: 12] [UniProtKB: P34969] | ||||||||
| ChEMBL | Binding affinity to human serotonin 5-HT7 receptor | B | 6 | pKi | 1000 | nM | Ki | Bioorg Med Chem Lett (2013) 23: 4210-4215 [PMID:23756062] |
| 5-HT7 receptor in Mouse [GtoPdb: 12] [UniProtKB: P32304] | ||||||||
| GtoPdb | - | - | 5.8 | pKi | - | - | - | Mol Pharmacol (1993) 44: 229-36 [PMID:8394987] |
| Alpha-1A adrenergic receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4892] [UniProtKB: P18130] | ||||||||
| ChEMBL | Binding affinity was evaluated by Alpha-1 adrenergic receptor in calf cortex by displacing prazosin | B | 7.5 | pKd | 7.5 | - | pKD | J Med Chem (1995) 38: 2326-2330 [PMID:7608898] |
| α1A-adrenoceptor/Alpha-1A adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL319] [GtoPdb: 22] [UniProtKB: P43140] | ||||||||
| ChEMBL | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | B | 7.31 | pKi | 49 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | The ability to inhibit [3H]prazosin binding to Alpha-1 adrenergic receptor in rat whole brain | B | 7.52 | pKi | 30 | nM | Ki | J Med Chem (1992) 35: 1486-1489 [PMID:1573641] |
| ChEMBL | DRUGMATRIX: Alpha-1A adrenergic receptor radioligand binding (ligand: prazosin) | B | 6.92 | pIC50 | 120 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| α1B-adrenoceptor/Alpha-1B adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL315] [GtoPdb: 23] [UniProtKB: P15823] | ||||||||
| ChEMBL | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | B | 8.06 | pKi | 8.65 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Alpha-1B adrenergic receptor radioligand binding (ligand: prazosin) | B | 7.8 | pIC50 | 16 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| α1D-adrenoceptor/Alpha-1D adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL223] [GtoPdb: 24] [UniProtKB: P25100] | ||||||||
| ChEMBL | DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) | B | 7.03 | pKi | 93 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Alpha-1D adrenergic receptor radioligand binding (ligand: prazosin) | B | 6.72 | pIC50 | 189 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| α2A-adrenoceptor/Alpha-2A adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1867] [GtoPdb: 25] [UniProtKB: P08913] | ||||||||
| ChEMBL | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | B | 6.18 | pKi | 666 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Alpha-2A adrenergic receptor radioligand binding (ligand: MK-912) | B | 5.75 | pIC50 | 1777 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| α2A-adrenoceptor/Alpha-2A adrenergic receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL327] [GtoPdb: 25] [UniProtKB: P22909] | ||||||||
| ChEMBL | Compound was evaluated for the binding affinity at Alpha adrenergic receptor | B | 7.52 | pKi | 30 | nM | Ki | J Med Chem (1995) 38: 2326-2330 [PMID:7608898] |
| 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 | 6.28 | pKi | 524 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Alpha-2B adrenergic receptor radioligand binding (ligand: Rauwolscine) | B | 5.94 | pIC50 | 1148 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| α2C-adrenoceptor/Alpha-2C adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1916] [GtoPdb: 27] [UniProtKB: P18825] | ||||||||
| ChEMBL | DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) | B | 6.95 | pKi | 113 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Adrenergic Alpha-2C radioligand binding (ligand: [3H] MK-912) | B | 6.11 | pIC50 | 780 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| β1-adrenoceptor/Beta-1 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL213] [GtoPdb: 28] [UniProtKB: P08588] | ||||||||
| ChEMBL | Binding affinity to adrenergic beta-1 receptor | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2006) 49: 1125-1139 [PMID:16451077] |
| β2-adrenoceptor/Beta-2 adrenergic receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL210] [GtoPdb: 29] [UniProtKB: P07550] | ||||||||
| ChEMBL | Binding affinity to adrenergic beta-2 receptor | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2006) 49: 1125-1139 [PMID:16451077] |
| 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 | 7.15 | pIC50 | 70 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| CYP3A4/Cytochrome P450 3A4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL340] [GtoPdb: 1337] [UniProtKB: P08684] | ||||||||
| ChEMBL | DRUGMATRIX: CYP450, 3A4 enzyme inhibition (substrate: 7-Benzyloxy-4-(trifluoromethyl)-coumarin) | B | 6.52 | pIC50 | 300 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| D1 receptor/D(1A) dopamine receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2056] [GtoPdb: 214] [UniProtKB: P21728] | ||||||||
| ChEMBL | Binding affinity to dopamine receptor D1 | B | 5.77 | pIC50 | 1700 | nM | IC50 | J Med Chem (2006) 49: 1125-1139 [PMID:16451077] |
| D(1A) dopamine receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2967] [UniProtKB: Q95136] | ||||||||
| ChEMBL | Binding affinity was evaluated by Dopamine receptor D1 agonism in the calf striatum by displacing SCH 23390 | B | 5.2 | pKd | 5.2 | - | pKD | J Med Chem (1995) 38: 2326-2330 [PMID:7608898] |
| D1 receptor/D(1A) dopamine receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL265] [GtoPdb: 214] [UniProtKB: P18901] | ||||||||
| ChEMBL | The ability to inhibit [3H]-SCH- 23390 binding to Dopamine receptor D1 in rat striata | B | 5.77 | pKi | 1700 | nM | Ki | J Med Chem (1992) 35: 1486-1489 [PMID:1573641] |
| D2 receptor/D(2) dopamine receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL217] [GtoPdb: 215] [UniProtKB: P14416] | ||||||||
| ChEMBL | DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) | B | 6.8 | pKi | 158 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Dopamine D2L radioligand binding (ligand: [3H] Spiperone) | B | 6.33 | pIC50 | 473 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ChEMBL | Binding affinity to dopamine receptor D2 | B | 6.64 | pIC50 | 227 | nM | IC50 | J Med Chem (2006) 49: 1125-1139 [PMID:16451077] |
| D(2) dopamine receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3998] [UniProtKB: P20288] | ||||||||
| ChEMBL | Binding affinity was evaluated by Dopamine receptor D2 agonism in the calf striatum by displacing spiperone | B | 6.5 | pKd | 6.5 | - | pKD | J Med Chem (1995) 38: 2326-2330 [PMID:7608898] |
| D2 receptor/D(2) dopamine receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL339] [GtoPdb: 215] [UniProtKB: P61169] | ||||||||
| ChEMBL | Affinity towards Dopamine receptor D2 in rat striatum using [3H]spiperone as radioligand | B | 6.64 | pKi | 227 | nM | Ki | J Med Chem (2003) 46: 702-715 [PMID:12593651] |
| ChEMBL | The ability to inhibit [3H]domperidone binding to dopamine receptor D2 in rat striata | B | 6.64 | pKi | 227 | nM | Ki | J Med Chem (1992) 35: 1486-1489 [PMID:1573641] |
| ChEMBL | Displacement of [3H]spiroperidol from D2 dopamine receptor | B | 6.17 | pIC50 | 680 | nM | IC50 | J Med Chem (1994) 37: 1320-1325 [PMID:8176710] |
| ChEMBL | Inhibitory activity against dopamine receptor D2 by 3H ligand binding experiments. | B | 6.41 | pIC50 | 390 | nM | IC50 | J Med Chem (1991) 34: 616-624 [PMID:1995885] |
| D3 receptor/D(3) dopamine receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL234] [GtoPdb: 216] [UniProtKB: P35462] | ||||||||
| ChEMBL | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | B | 7.31 | pKi | 49 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Dopamine D3 radioligand binding (ligand: [3H] Spiperone) | B | 6.84 | pIC50 | 144 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 5-HT3E/5-HT3B/5-HT3A/5-HT3D/5-HT3C/Serotonin 3 (5-HT3) receptor in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2094132] [GtoPdb: 377, 374, 373, 376, 375] [UniProtKB: A5X5Y0, O95264, P46098, Q70Z44, Q8WXA8] | ||||||||
| ChEMBL | Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated rabbit vagus nerve (RVN) | F | 6.5 | pKd | 316.23 | nM | Kd | Bioorg Med Chem Lett (1992) 2: 461-466 |
| ChEMBL | Evaluated for the antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor in isolated perfused rabbit heart (RH) | F | 7.1 | pKd | 79.43 | nM | Kd | Bioorg Med Chem Lett (1992) 2: 461-466 |
| ChEMBL | Antagonistic activity against Serotonin 5-hydroxytryptamine 3 receptor of isolated guinea pig ileum (GPI) | F | 7.2 | pKd | 63.1 | nM | Kd | Bioorg Med Chem Lett (1992) 2: 461-466 |
| ChEMBL | Compound was tested for 5-hydroxytryptamine 3 receptor binding affinity | B | 6.82 | pKi | 152 | nM | Ki | J Med Chem (2003) 46: 319-344 [PMID:12540230] |
| 5-HT3A/5-HT3B/Serotonin 3 (5-HT3) receptor in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094116] [GtoPdb: 373, 374] [UniProtKB: P35563, Q9JJ16] | ||||||||
| ChEMBL | Inhibition of [3H]GR-65630 binding to 5-hydroxytryptamine 3 receptor | B | 6.87 | pKi | 134 | nM | Ki | J Med Chem (1992) 35: 1486-1489 [PMID:1573641] |
| ChEMBL | Displacement of [3H]GR65630 from 5HT3 receptor in brain cortex from Wistar rat | B | 6.87 | pKi | 134 | nM | Ki | J Med Chem (2006) 49: 1125-1139 [PMID:16451077] |
| ChEMBL | Inhibition of [3H]GR-65630 binding to rat cortical membrane serotonin 5-hydroxytryptamine 3 receptor | B | 7.02 | pKi | 94.7 | nM | Ki | J Med Chem (2003) 46: 702-715 [PMID:12593651] |
| ChEMBL | Inhibition of [3H]BRL-43694 binding to rat 5-hydroxytryptamine 3 receptor | B | 6.05 | pIC50 | 900 | nM | IC50 | J Med Chem (1994) 37: 1320-1325 [PMID:8176710] |
| sigma non-opioid intracellular receptor 1/Sigma non-opioid intracellular receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL287] [GtoPdb: 2552] [UniProtKB: Q99720] | ||||||||
| ChEMBL | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | B | 6.38 | pKi | 418 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Sigma1 radioligand binding (ligand: [3H] Haloperidol) | B | 6 | pIC50 | 994 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| 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 | 4.83 | pIC50 | 14700 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
| SERT/Sodium-dependent serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
| ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 6.69 | pKi | 204 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 6.42 | pIC50 | 384 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Voltage-dependent L-type calcium channel subunit alpha-1C in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366456] [UniProtKB: O35505] | ||||||||
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes | F | 4.33 | pIC50 | 46900 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| ChEMBL | Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes | F | 4.8 | pIC50 | 16000 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
| 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 | 6.86 | pKi | 139.4 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | Inhibition of human ERG Y652A mutant expressed in HEK293 cells by whole cell patch clamp method | B | 5.57 | pIC50 | 2690 | nM | IC50 | J Med Chem (2009) 52: 1630-1638 [PMID:19260734] |
| ChEMBL | Inhibition of human ERG F656A mutant expressed in HEK293 cells by whole cell patch clamp method | B | 5.77 | pIC50 | 1710 | nM | IC50 | J Med Chem (2009) 52: 1630-1638 [PMID:19260734] |
| ChEMBL | hERG Inhibition Activity Assay: 1. CHO-hERG cells which have been incubated overnight were added with sample buffer and incubated for 90 minutes at room temperature in darkness.2. The sample buffer was removed and assay buffer was added.3. The compound is added to the cell plate and incubated for 20 minutes in darkness.4. Cell plate was placed into FDSS. The fluorescence signal was recorded every second for 10 seconds. Exciting buffer was added to the cells at the 10th second and the fluorescence signal was recorded every second for 180 seconds5. Data were processed. | B | 6.72 | pIC50 | 190 | nM | IC50 | US-10167299-B2. 1-(3-aminopropyl) substituted cyclic amine compounds, preparation method therefor, and pharmaceutical compositions and uses thereof (2019) |
| ChEMBL | DRUGMATRIX: Potassium Channel HERG radioligand binding (ligand: [3H] Astemizole) | B | 6.77 | pIC50 | 170.1 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| ChEMBL | Inhibition of human ERG expressed in CHO cells by Qpatch assay | B | 6.82 | pIC50 | 150 | nM | IC50 | Eur J Med Chem (2017) 127: 72-86 [PMID:28038328] |
| ChEMBL | hERG Potassium Channel Toxicity Assay: Experimental method: hERG patch clamp detection methodExperimental procedure: Compound preparation: the stock solution of a compound was diluted with extracellular fluid, 2 ÎĽL of the compound stock solution was added to 998 ÎĽL extracellular fluid, and then serially diluted 5 times in an extracellular fluid containing 0.2% DMSO to obtain the final concentration to be tested. The highest test concentration of the compound was 40 ÎĽM, and there were 6 concentrations, 40, 8, 1.6, 0.32, 0.064, and 0.0128 ÎĽM, respectively.The DMSO content in the final test concentration did not exceed 0.2%, and this concentration of DMSO did not affect the hERG potassium channel. | B | 6.89 | pIC50 | 130 | nM | IC50 | US-10800776-B2. Fluorine-containing triazolopyridine, and manufacturing method, pharmaceutical composition, and application thereof (2020) |
| ChEMBL | Inhibition of human ERG S624A mutant expressed in HEK293 cells by whole cell patch clamp method | B | 6.92 | pIC50 | 120 | nM | IC50 | J Med Chem (2009) 52: 1630-1638 [PMID:19260734] |
| ChEMBL | Inhibition of human ERG overexpressed in CHO cells by Qpatch method | B | 7.01 | pIC50 | 98 | nM | IC50 | Bioorg Med Chem (2015) 23: 5881-5890 [PMID:26211462] |
| ChEMBL | Inhibition of human ERG expressed in CHO cells by whole-cell patch clamp assay | B | 7.1 | pIC50 | 80 | nM | IC50 | J Med Chem (2014) 57: 3687-3706 [PMID:24564525] |
| ChEMBL | Inhibitory activity against Potassium channel HERG | B | 7.33 | pIC50 | 47 | nM | IC50 | J Med Chem (2003) 46: 2017-2022 [PMID:12747773] |
| ChEMBL | Inhibition of K+ channel activity in CHO cells expressing HERG Kv11.1 | B | 7.35 | pIC50 | 45 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 1829-1835 [PMID:12729675] |
| ChEMBL | Inhibition of human ERG expressed in CHO cells assessed as whole cell current by patch clamp assay | B | 7.4 | pIC50 | 40 | nM | IC50 | J Med Chem (2015) 58: 4506-4520 [PMID:25992974] |
| GtoPdb | - | - | 7.4 | pIC50 | 44.5 | nM | IC50 | FEBS Lett (1997) 417: 28-32 [PMID:9395068] |
| ChEMBL | Inhibitory concentration against potassium channel HERG | B | 7.4 | pIC50 | 39.81 | 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 | 7.4 | pIC50 | 39.81 | nM | IC50 | Bioorg Med Chem (2008) 16: 6252-6260 [PMID:18448342] |
| ChEMBL | Inhibition of human Potassium channel HERG expressed in mammalian cells | B | 7.4 | pIC50 | 39.81 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 2773-2775 [PMID:12873512] |
| ChEMBL | Inhibition of human ERG expressed in CHOK1 cells by patch clamp assay | B | 7.92 | pIC50 | 12 | nM | IC50 | Bioorg Med Chem Lett (2018) 28: 2477-2480 [PMID:29871847] |
| GtoPdb | - | - | 8 | pIC50 | 10 | nM | IC50 | J Med Chem (2025) 68: 9555-9583 [PMID:40257122] |
| ChEMBL | Inhibition of wild-type human ERG expressed in HEK293 cells by whole cell patch clamp method | B | 8 | pIC50 | 10 | nM | IC50 | J Med Chem (2009) 52: 1630-1638 [PMID:19260734] |
| ChEMBL | Inhibition of human ERG | B | 8.17 | pIC50 | 6.76 | nM | IC50 | Eur J Med Chem (2011) 46: 618-630 [PMID:21185626] |
| ChEMBL | Inhibition of human ERG channel | B | 8.17 | pIC50 | 6.7 | nM | IC50 | J Med Chem (2009) 52: 4266-4276 [PMID:19534531] |
| ChEMBL | Inhibition of human ERG channel | B | 8.17 | pIC50 | 6.7 | nM | IC50 | J Med Chem (2009) 52: 4266-4276 [PMID:19534531] |
| ChEMBL | Inhibition of hERG K channel | F | 8.19 | pIC50 | 6.5 | nM | IC50 | Cardiovasc Res (2011) 91: 53-61 [PMID:21300721] |
| ChEMBL | K+ channel blocking activity in human embryonic kidney cells expressing HERG Kv11.1 | F | 8.19 | pIC50 | 6.5 | nM | IC50 | J Med Chem (2002) 45: 3844-3853 [PMID:12190308] |
| ChEMBL | Inhibition of partially open human voltage-gated potassium channel subunit Kv11.1 (ERG K+ channel) | F | 8.19 | pIC50 | 6.46 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 1737-1741 [PMID:15745831] |
| ChEMBL | Inhibition of human ERG in MCF7 cells | B | 8.19 | pIC50 | 6.46 | nM | IC50 | Eur J Med Chem (2009) 44: 1926-1932 [PMID:19110341] |
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]
