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 34:
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]
