DOI [Ligand Id: 147] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL6616 (Racemic DOI) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Monoamine oxidase A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3358] [UniProtKB: P21396] | ||||||||
| ChEMBL | Inhibitory concentration against monoamine oxidase A in rat brain mitochondrial suspension | B | 4.36 | pIC50 | 44000 | nM | IC50 | J Med Chem (2005) 48: 2407-2419 [PMID:15801832] |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908] | ||||||||
| ChEMBL | Binding affinity to 5HT1A receptor | B | 5.3 | pKd | 5011.87 | nM | Kd | J Med Chem (2009) 52: 6107-6125 [PMID:19754201] |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| ChEMBL | Displacement of [3H]ketanserein from 5HT2A receptor F340L mutant expressed in NIH3T3 cells | B | 4.86 | pKi | 13700 | nM | Ki | J Med Chem (2008) 51: 6808-6828 [PMID:18847250] |
| ChEMBL | Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human A549 cells | B | 7.54 | pKi | 29 | nM | Ki | Bioorg Med Chem (2008) 16: 6116-6123 [PMID:18468904] |
| ChEMBL | Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human A549 cells | B | 7.55 | pKi | 28 | nM | Ki | Bioorg Med Chem (2008) 16: 6116-6123 [PMID:18468904] |
| ChEMBL | Displacement of [3H]INBMeO from human 5HT2A receptor expressed in human HEK293 cells | B | 7.85 | pKi | 14 | nM | Ki | Bioorg Med Chem (2008) 16: 6116-6123 [PMID:18468904] |
| ChEMBL | Displacement of [3H]ketanserin from human 5HT2A receptor expressed in human HEK293 cells | B | 7.89 | pKi | 13 | nM | Ki | Bioorg Med Chem (2008) 16: 6116-6123 [PMID:18468904] |
| ChEMBL | Displacement of [3H]ketanserin from 5HT2A receptor expressed in NIH3T3 cells | B | 9.04 | pKi | 0.92 | nM | Ki | J Med Chem (2008) 51: 6808-6828 [PMID:18847250] |
| ChEMBL | Displacement of [125I]DOI from recombinant human 5HT2A expressed in Syrian hamster AV12 cell membranes | B | 9.15 | pKi | 0.7 | nM | Ki | J Med Chem (2017) 60: 2605-2628 [PMID:28244748] |
| GtoPdb | - | - | 9.2 | pKi | 0.63 | nM | Ki |
Biochem Pharmacol (1996) 51: 71-6 [PMID:8534270]; Mol Pharmacol (1990) 38: 604-9 [PMID:2233697]; Naunyn Schmiedebergs Arch Pharmacol (1999) 359: 1-6 [PMID:9933142] |
| ChEMBL | Binding activity against cloned human 5-hydroxytryptamine 2A receptor using [125I]DOI as the radioligand. | B | 9.34 | pKi | 0.46 | nM | Ki | J Med Chem (1998) 41: 5148-5149 [PMID:9857084] |
| ChEMBL | Partial agonist activity at human 5-HT2A receptor expressed in HEK293 cells preincubated for 1 hr at 37 degC followed by incubated for 15 mins at room temperature by IP-One assay | B | 8.2 | pEC50 | 6.31 | nM | EC50 | Bioorg Med Chem (2015) 23: 3933-3937 [PMID:25583099] |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5377] [GtoPdb: 6] [UniProtKB: P35363] | ||||||||
| ChEMBL | Percent of maximum stimulation of phosphatidylinositol turnover at cloned 5-hydroxytryptamine 2A receptor in 3T3 cells | F | 6.92 | pKd | 119 | nM | K aff | J Med Chem (1994) 37: 4346-4351 [PMID:7996545] |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL322] [GtoPdb: 6] [UniProtKB: P14842] | ||||||||
| GtoPdb | - | - | 7.1 | pKi | - | - | - | Mol Pharmacol (2000) 58: 877-86 [PMID:11040033] |
| ChEMBL | Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain by liquid scintillation spectroscopy | B | 7.72 | pKi | 19 | nM | Ki | Bioorg Med Chem (2008) 16: 4661-4669 [PMID:18296055] |
| ChEMBL | Displacement of [3H]ketanserin from 5HT2A in Sprague-Dawley rat cortex membranes measured after 15 mins | B | 7.72 | pKi | 19 | nM | Ki | J Med Chem (2017) 60: 2605-2628 [PMID:28244748] |
| ChEMBL | Displacement of [3H]DOB from 5HT2A in Sprague-Dawley rat cortex membranes measured after 15 mins by scintillation counting method | B | 9.15 | pKi | 0.7 | nM | Ki | J Med Chem (2017) 60: 2605-2628 [PMID:28244748] |
| 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| ChEMBL | Binding activity against cloned human 5-hydroxytryptamine 2B receptor using [3H]5-HT as the radioligand. | B | 7.37 | pKi | 42.7 | nM | Ki | J Med Chem (1998) 41: 5148-5149 [PMID:9857084] |
| GtoPdb | - | - | 7.7 | pKi | 19.9 | nM | Ki |
Naunyn Schmiedebergs Arch Pharmacol (1999) 359: 1-6 [PMID:9933142]; Mol Pharmacol (1994) 46: 227-34 [PMID:8078486]; Br J Pharmacol (2003) 140: 277-84 [PMID:12970106] |
| ChEMBL | Displacement of radiolabeled DOI from human 5HT2B receptor agonist site | F | 8.46 | pKi | 3.5 | nM | Ki | J Med Chem (2008) 51: 7094-7098 [PMID:18983139] |
| ChEMBL | Displacement of [125I](+/-)-DOI from human 5HT2B receptor | B | 8.7 | pKi | 2 | nM | Ki | J Med Chem (2011) 54: 5320-5334 [PMID:21726069] |
| ChEMBL | Binding affinity to human 5-HT2B receptor by radioligand displacement assay | B | 8.7 | pKi | 2 | nM | Ki | Eur J Med Chem (2013) 63: 85-94 [PMID:23466604] |
| ChEMBL | Displacement of [125I](+/-)DOI from human recombinant 5-HT2B receptor expressed in CHO cells after 60 mins by scintillation counting | B | 8.8 | pKi | 1.6 | nM | Ki | J Med Chem (2017) 60: 349-361 [PMID:27997171] |
| ChEMBL | Binding affinity to human 5-HT2B receptor by radioligand displacement assay | B | 8.4 | pIC50 | 4 | nM | IC50 | Eur J Med Chem (2013) 63: 85-94 [PMID:23466604] |
| ChEMBL | Displacement of radiolabeled DOI from human 5HT2B receptor agonist site | F | 8.46 | pIC50 | 3.5 | nM | IC50 | J Med Chem (2008) 51: 7094-7098 [PMID:18983139] |
| ChEMBL | Binding affinity to human 5-HT2B receptor by radioligand displacement assay | B | 8.49 | pIC50 | 3.2 | nM | IC50 | Bioorg Med Chem (2013) 21: 2764-2771 [PMID:23582449] |
| ChEMBL | Displacement of [125I](+/-)DOI from human recombinant 5-HT2B receptor expressed in CHO cells after 60 mins by scintillation counting | B | 8.49 | pIC50 | 3.2 | nM | IC50 | J Med Chem (2017) 60: 349-361 [PMID:27997171] |
| ChEMBL | Displacement of [125I](+/-)DOI from human recombinant 5-HT2B receptor expressed in CHO cells | B | 8.6 | pIC50 | 2.5 | nM | IC50 | Bioorg Med Chem (2016) 24: 1793-1810 [PMID:26988801] |
| ChEMBL | Displacement of [125I]DOI from human recombinant 5HT2B receptor expressed in CHO cells measured after 60 mins by scintillation counting method | B | 8.6 | pIC50 | 2.5 | nM | IC50 | Bioorg Med Chem (2017) 25: 471-482 [PMID:27876250] |
| 5-HT2B receptor in Rat [GtoPdb: 7] [UniProtKB: P30994] | ||||||||
| GtoPdb | - | - | 7.6 | pKi | - | - | - |
Mol Pharmacol (1994) 46: 227-34 [PMID:8078486]; Mol Pharmacol (1993) 43: 419-26 [PMID:8450835] |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335] | ||||||||
| GtoPdb | - | - | 8.6 | pKi | 2.51 | nM | Ki |
Naunyn Schmiedebergs Arch Pharmacol (1999) 359: 1-6 [PMID:9933142]; Br J Pharmacol (2003) 140: 277-84 [PMID:12970106]; Synapse (2000) 35: 144-150 [PMID:10611640] |
| ChEMBL | Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125I]DOI as the radioligand. | B | 8.74 | pKi | 1.82 | nM | Ki | J Med Chem (1998) 41: 5148-5149 [PMID:9857084] |
| ChEMBL | Partial agonist activity at human 5-HT2C receptor expressed in HEK293 cells preincubated for 1 hr at 37 degC followed by incubated for 15 mins at room temperature by IP-One assay | B | 7.34 | pEC50 | 45.71 | nM | EC50 | Bioorg Med Chem (2015) 23: 3933-3937 [PMID:25583099] |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3006] [GtoPdb: 8] [UniProtKB: P34968] | ||||||||
| ChEMBL | Percent of maximum stimulation of phosphatidylinositol turnover at cloned 5-hydroxytryptamine 2C receptor in A9 cells | F | 7.37 | pKd | 43 | nM | K aff | J Med Chem (1994) 37: 4346-4351 [PMID:7996545] |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL324] [GtoPdb: 8] [UniProtKB: P08909] | ||||||||
| ChEMBL | Binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]mesulergine as radioligand | B | 7.52 | pKi | 30 | nM | Ki | J Med Chem (1992) 35: 734-740 [PMID:1542100] |
| ChEMBL | Agonist activity at rat 5-HT2C receptor expressed in African clawed frog oocytes assessed as increase in current amplitude | B | 6.75 | pEC50 | 178 | nM | EC50 | J Med Chem (2017) 60: 6273-6288 [PMID:28657744] |
| 5-HT5A receptor/Serotonin 5a (5-HT5a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3426] [GtoPdb: 10] [UniProtKB: P47898] | ||||||||
| ChEMBL | Binding affinity towards human 5-hydroxytryptamine 5A receptor | B | 6 | pKi | >1000 | nM | Ki | J Med Chem (2003) 46: 2795-2812 [PMID:12825922] |
| 5-ht1e receptor in Human [GtoPdb: 4] [UniProtKB: P28566] | ||||||||
| GtoPdb | - | - | 5.8 | pKi | - | - | - |
Proc Natl Acad Sci USA (1993) 90: 408-12 [PMID:8380639]; Eur J Pharmacol (2004) 484: 127-39 [PMID:14744596] |
| 5-HT1F receptor in Human [GtoPdb: 5] [UniProtKB: P30939] | ||||||||
| GtoPdb | - | - | 5.8 | pKi | - | - | - | Proc Natl Acad Sci USA (1993) 90: 408-12 [PMID:8380639] |
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]
