mesulergine [Ligand Id: 206] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL12314 (Mesulergine) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| 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 | 6.8 | pKd | 158.49 | nM | Kd | J Med Chem (2009) 52: 6107-6125 [PMID:19754201] |
| 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327] | ||||||||
| ChEMBL | Evaluated for the binding affinity to hippocampus striatal membranes at 5-hydroxytryptamine 1A receptor binding site by using [3H]-8-OH- DPAT as a radioligand. | B | 6.52 | pKi | 300 | nM | Ki | J Med Chem (1987) 30: 1-12 [PMID:3543362] |
| 5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3459] [GtoPdb: 2] [UniProtKB: P28564] | ||||||||
| ChEMBL | Binding affinity (Ki) to rat cortical membranes at 5-HT1B binding site by using [125 I] ICYP as a radioligand. | B | 4.89 | pKi | 13000 | nM | Ki | J Med Chem (1987) 30: 1-12 [PMID:3543362] |
| 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223] | ||||||||
| GtoPdb | - | - | 7.5 | pKi | - | - | - |
Naunyn Schmiedebergs Arch Pharmacol (2004) 370: 114-23 [PMID:15322733]; Biochem Pharmacol (1996) 51: 71-6 [PMID:8534270] |
| ChEMBL | Displacement of [3H]-ketanserin from human cloned 5-hydroxytryptamine 2A receptor expressed in CHO-K1 cells. | B | 7.7 | pKi | 19.95 | nM | Ki | Bioorg Med Chem Lett (1996) 6: 2687-2692 |
| 5-HT2A receptor in Rat [GtoPdb: 6] [UniProtKB: P14842] | ||||||||
| GtoPdb | - | - | 8.6 | pKi | - | - | - | Mol Pharmacol (1994) 45: 277-86 [PMID:8114677] |
| 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
| ChEMBL | Antagonist activity at human recombinant 5-HT2B receptor in CHOK1 cells measured after 30 mins by HTRF assay | B | 8.55 | pKi | 2.8 | nM | Ki | Eur J Med Chem (2019) 176: 292-309 [PMID:31112891] |
| ChEMBL | Displacement of [3H]-5-5HT from human cloned 5-hydroxytryptamine 2B receptor expressed in CHO-K1 cells | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (1996) 6: 2687-2692 |
| GtoPdb | - | - | 8.8 | pKi | - | - | - |
Naunyn Schmiedebergs Arch Pharmacol (2004) 370: 114-23 [PMID:15322733]; Cardiovasc Drugs Ther (2003) 17: 427-34 [PMID:15107597]; Naunyn Schmiedebergs Arch Pharmacol (1998) 357: 17-24 [PMID:9459568] |
| ChEMBL | Antagonist activity at human recombinant 5-HT2B receptor in CHOK1 cells measured after 30 mins by HTRF assay | B | 8.28 | pIC50 | 5.2 | nM | IC50 | Eur J Med Chem (2019) 176: 292-309 [PMID:31112891] |
| 5-HT2B receptor in Rat [GtoPdb: 7] [UniProtKB: P30994] | ||||||||
| GtoPdb | - | - | 7.4 | pKi | - | - | - | 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] | ||||||||
| ChEMBL | Displacement of [3H]mesulergine from human cloned 5-hydroxytryptamine 2C receptor expressed in CHO-K1 cells | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (1996) 6: 2687-2692 |
| ChEMBL | Displacement of [3H]5-HT from human recombinant 5-HT2C receptor expressed in HEK293 cells | B | 8.74 | pKi | 1.82 | nM | Ki | J Med Chem (2014) 57: 5823-5828 [PMID:24878269] |
| ChEMBL | Displacement of [3H]5-HT from human recombinant 5-HT2C receptor expressed in HEK293 cells | B | 8.74 | pKi | 1.82 | nM | Ki | J Med Chem (2014) 57: 5823-5828 [PMID:24878269] |
| ChEMBL | Evaluated for the binding affinity to porcine choroid plexus at 5-hydroxytryptamine 2C receptor binding site by using [3H]-MES as a radioligand. | B | 8.82 | pKi | 1.5 | nM | Ki | J Med Chem (1987) 30: 1-12 [PMID:3543362] |
| ChEMBL | Ability to displace [3H]mesulergine (0.5 nM) from CHO cells of human 5-hydroxytryptamine 2C receptor | B | 9.04 | pKi | 0.92 | nM | Ki | J Med Chem (2003) 46: 265-283 [PMID:12519065] |
| GtoPdb | - | - | 9.3 | pKi | - | - | - |
Biochem Pharmacol (2003) 65: 435-40 [PMID:12527336]; Naunyn Schmiedebergs Arch Pharmacol (2004) 370: 114-23 [PMID:15322733]; Cardiovasc Drugs Ther (2003) 17: 427-34 [PMID:15107597] |
| ChEMBL | Percent inhibition against 5-hydroxytryptamine 2C receptor at 1 uM | B | 8.72 | pIC50 | 1.9 | nM | IC50 | J Med Chem (2005) 48: 6887-6896 [PMID:16250647] |
| 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL324] [GtoPdb: 8] [UniProtKB: P08909] | ||||||||
| ChEMBL | The compound was tested for their binding affinity towards 5-hydroxytryptamine 2C receptor | B | 8.28 | pKi | 5.2 | nM | Ki | J Med Chem (1995) 38: 2692-2704 [PMID:7629808] |
| ChEMBL | Displacement of [3H]mesulergine from serotonin 5-HT2C receptor in Sprague-Dawley rat brain cortex homogenates incubated for 15 mins by liquid scintillation spectrometry | B | 8.72 | pKi | 1.9 | nM | Ki | Bioorg Med Chem (2017) 25: 5820-5837 [PMID:28943244] |
| ChEMBL | Binding affinity to 5HT2C receptor in Sprague-Dawley rat frontal cortical homogenates after 15 mins | B | 8.72 | pKi | 1.9 | nM | Ki | Eur J Med Chem (2011) 46: 2206-2216 [PMID:21440338] |
| ChEMBL | Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5-HT2C receptor after 15 mins by liquid scintillation counting in presence of 5-HT2A blocker, spiperone | B | 8.72 | pKi | 1.9 | nM | Ki | Eur J Med Chem (2012) 47: 520-529 [PMID:22133459] |
| ChEMBL | Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis | B | 8.72 | pKi | 1.9 | nM | Ki | Eur J Med Chem (2016) 110: 133-150 [PMID:26820556] |
| ChEMBL | Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins | B | 8.72 | pKi | 1.9 | nM | Ki | Eur J Med Chem (2016) 116: 173-186 [PMID:27061981] |
| ChEMBL | Displacement of [3H]mesulergine from 5HT2C in Sprague-Dawley rat brain cortex by liquid scintillation counting | B | 8.72 | pKi | 1.9 | nM | Ki | Eur J Med Chem (2010) 45: 752-759 [PMID:19954866] |
| ChEMBL | The compound was tested for the binding affinity against 5-hydroxytryptamine 2C receptor using [3H]Mesulergine as radioligand. | B | 8.8 | pKi | 1.58 | nM | Ki | J Med Chem (1999) 42: 4362-4379 [PMID:10543880] |
| ChEMBL | Ability to displace [3H]mesulergine bound to 5-hydroxytryptamine 2C receptor in rat cortex | B | 9.14 | pKi | 0.73 | nM | Ki | J Med Chem (1998) 41: 728-741 [PMID:9513601] |
| ChEMBL | Binding affinity against 5-hydroxytryptamine 2C receptor of rat cortex | B | 9.14 | pKi | 0.73 | nM | Ki | J Med Chem (1999) 42: 1556-1575 [PMID:10229626] |
| GtoPdb | - | - | 9.2 | pKi | - | - | - | J Neurochem (1997) 69: 1138-44 [PMID:9282936] |
| ChEMBL | Displacement of [3H]mesulergine (0.5 nM) from rat 5-hydroxytryptamine 2C receptor expressed in SR-3T3 cells | B | 9.43 | pKi | 0.37 | nM | Ki | J Med Chem (2003) 46: 265-283 [PMID:12519065] |
| 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 radiolabeled [3H]-Zacopride ligand binding to 5-hydroxytryptamine 3 receptor | B | 8.67 | pIC50 | 2.13 | nM | IC50 | J Med Chem (1997) 40: 3670-3678 [PMID:9357534] |
| 5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406] | ||||||||
| GtoPdb | - | - | 5.7 | pKi | - | - | - |
J Neurochem (1996) 66: 47-56 [PMID:8522988]; Mol Pharmacol (1998) 54: 577-583 [PMID:9730917]; Mol Pharmacol (1997) 52: 515-523 [PMID:9284367] |
| ChEMBL | Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 1 hr by scintillation spectroscopic analysis | B | 6.11 | pKi | 776.25 | nM | Ki | J Med Chem (2014) 57: 5823-5828 [PMID:24878269] |
| ChEMBL | Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 1 hr by scintillation spectroscopic analysis | B | 6.11 | pKi | 776 | nM | Ki | J Med Chem (2014) 57: 5823-5828 [PMID:24878269] |
| 5-HT6 receptor in Rat [GtoPdb: 11] [UniProtKB: P31388] | ||||||||
| GtoPdb | - | - | 5.8 | pKi | - | - | - |
Mol Pharmacol (1993) 43: 320-7 [PMID:7680751]; Neuropharmacology (1997) 36: 713-20 [PMID:9225298]; Mol Pharmacol (1998) 54: 577-583 [PMID:9730917] |
| 5-HT7 receptor/Serotonin 7 (5-HT7) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3155] [GtoPdb: 12] [UniProtKB: P34969] | ||||||||
| ChEMBL | Non-selective inhibitory activity was determined against 5-hydroxytryptamine 7 receptor | B | 8.1 | pKi | 7.94 | nM | Ki | J Med Chem (2003) 46: 5638-5650 [PMID:14667218] |
| GtoPdb | - | - | 8.2 | pKi | - | - | - |
Naunyn Schmiedebergs Arch Pharmacol (2001) 363: 620-32 [PMID:11414657]; Br J Pharmacol (1997) 122: 126-32 [PMID:9298538]; J Biol Chem (1993) 268: 23422-6 [PMID:8226867]; Br J Pharmacol (1998) 124: 1300-6 [PMID:9720804] |
| ChEMBL | Antagonist activity at human 5-HT7 expressed in HEK-293 cells assessed as inhibition in serotonin-induced increase in cAMP level after 45 mins by HTRF assay | F | 6.54 | pIC50 | 290 | nM | IC50 | J Med Chem (2014) 57: 6879-6884 [PMID:25073094] |
| ChEMBL | Antagonist activity at human recombinant 5HT7 receptor expressed in CHOK1 cells assessed as inhibition of serotonon-induced increase in cAMP levels by HTRF assay relative to untreated control | F | 6.92 | pIC50 | 120 | nM | IC50 | J Med Chem (2009) 52: 2384-2392 [PMID:19326916] |
| 5-HT7 receptor in Mouse [GtoPdb: 12] [UniProtKB: P32304] | ||||||||
| GtoPdb | - | - | 7.6 | pKi | - | - | - | Mol Pharmacol (1993) 44: 229-36 [PMID:8394987] |
| 5-HT7 receptor/Serotonin 7 (5-HT7) receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3223] [GtoPdb: 12] [UniProtKB: P32305] | ||||||||
| ChEMBL | Binding affinity towards 5-hydroxytryptamine 7 receptor | B | 8.1 | pKi | 7.94 | nM | Ki | Bioorg Med Chem Lett (2000) 10: 1097-1100 [PMID:10843226] |
| GtoPdb | - | - | 8.2 | pKi | - | - | - | J Biol Chem (1993) 268: 18200-4 [PMID:8394362] |
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]
