mesulergine [Ligand Id: 206] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL12314 (Mesulergine)
  • 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Human [ChEMBL: CHEMBL214] [GtoPdb: 1] [UniProtKB: P08908]
  • 5-HT1A receptor/Serotonin 1a (5-HT1a) receptor in Rat [ChEMBL: CHEMBL273] [GtoPdb: 1] [UniProtKB: P19327]
  • This target only has 1 pki data point
  • 6.52
1 CHEMBL12314_lig_chart_1 Serotonin 1a (5-HT1a) receptor HumanRat
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  • 5-HT1B receptor/Serotonin 1b (5-HT1b) receptor in Rat [ChEMBL: CHEMBL3459] [GtoPdb: 2] [UniProtKB: P28564]
  • This target only has 1 pki data point
  • 4.89
2 CHEMBL12314_lig_chart_2 Serotonin 1b (5-HT1b) receptor Rat
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  • 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
  • 5-HT2A receptor in Rat [GtoPdb: 6] [UniProtKB: P14842]
  • 8.6
3 CHEMBL12314_lig_chart_3 Serotonin 2a (5-HT2a) receptor HumanRat
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  • 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
  • 5-HT2B receptor in Rat [GtoPdb: 7] [UniProtKB: P30994]
  • 7.4
4 CHEMBL12314_lig_chart_4 Serotonin 2b (5-HT2b) receptor HumanRat
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  • 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335]
  • 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Rat [ChEMBL: CHEMBL324] [GtoPdb: 8] [UniProtKB: P08909]
  • 8.72
5 CHEMBL12314_lig_chart_5 Serotonin 2c (5-HT2c) receptor HumanRat
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  • 5-HT3A/5-HT3B/Serotonin 3 (5-HT3) receptor in Rat [ChEMBL: CHEMBL2094116] [GtoPdb: 373374] [UniProtKB: P35563Q9JJ16]
  • This target only has 0 pki data point
  • 0
6 CHEMBL12314_lig_chart_6 Serotonin 3 (5-HT3) receptor Rat
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  • 5-HT6 receptor/Serotonin 6 (5-HT6) receptor in Human [ChEMBL: CHEMBL3371] [GtoPdb: 11] [UniProtKB: P50406]
  • 5-HT6 receptor in Rat [GtoPdb: 11] [UniProtKB: P31388]
  • 5.8
7 CHEMBL12314_lig_chart_7 Serotonin 6 (5-HT6) receptor HumanRat
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  • 5-HT7 receptor/Serotonin 7 (5-HT7) receptor in Human [ChEMBL: CHEMBL3155] [GtoPdb: 12] [UniProtKB: P34969]
  • 5-HT7 receptor in Mouse [GtoPdb: 12] [UniProtKB: P32304]
  • 5-HT7 receptor/Serotonin 7 (5-HT7) receptor in Rat [ChEMBL: CHEMBL3223] [GtoPdb: 12] [UniProtKB: P32305]
  • 8.15
8 CHEMBL12314_lig_chart_8 Serotonin 7 (5-HT7) receptor HumanMouseRat
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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: 373374] [UniProtKB: P35563Q9JJ16]
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 B 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 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]