BindingDB BDBM78940 METHIOTHEPIN::MLS000859918::Methiothepin mesylate salt::SMR000326779::cid_3039995::mesylic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine::methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine::methanesulfonic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine

BDBM78940 METHIOTHEPIN::MLS000859918::Methiothepin mesylate salt::SMR000326779::cid_3039995::mesylic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine::methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine::methanesulfonic acid;1-methyl-4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine

SMILES CSc1ccc2Sc3ccccc3CC(N3CCN(C)CC3)c2c1

InChI Key InChIKey=RLJFTICUTYVZDG-UHFFFAOYSA-N

Data 128 KI 13 IC50 5 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 78940

5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

BDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)

Ki: 0.562nMAssay Description:Displacement of [3H]-LSD from human 5-HT7 receptor transfected in CHO-K1 cells measured after 120 mins by scintillation counting methodMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

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5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

BDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)

Ki: 0.933nMAssay Description:Displacement of [3H]-LSD from human 5-HT6 receptor transfected in CHO-K1 cells measured after 60 mins by scintillation counting methodMore data for this Ligand-Target Pair

PDB Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar

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Details Article PubMed

5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL

BDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)

Ki: 2nMAssay Description:Displacement of [3H]-ketanserin from human human 5-HT2A receptor transfected in CHO-K1 cells measured after 60 mins by scintillation counting methodMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

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3D Structure (crystal)

Filter my 146 hits

Targets 20▿
- 5-hydroxytryptamine receptor 7 36
- 5-hydroxytryptamine receptor 6 32
- 5-hydroxytryptamine receptor 1A 15
- 5-hydroxytryptamine receptor 5A 10
- 5-hydroxytryptamine receptor 1B 10
- 5-hydroxytryptamine receptor 5B 6
- 5-hydroxytryptamine receptor 2A 5
- 5-hydroxytryptamine receptor 1E 5
- 5-hydroxytryptamine receptor 2C 4
- 5-hydroxytryptamine receptor 1D 4
- Alpha-1A adrenergic receptor 3
- 5-hydroxytryptamine receptor 2B 3
- 5-hydroxytryptamine receptor 1F 3
- G protein-coupled receptor 2
- G-protein coupled receptor homolog US28 2
- G_PROTEIN_RECEP_F1_2 domain-containing protein 2
- Alpha-1B adrenergic receptor 1
- D(2) dopamine receptor 1
- D(1A) dopamine receptor 1
- Ubiquitin-conjugating enzyme E2 N 1
- ...
Publications 50▿
- Neuropharmacology 33: 275-317 (1994) 29
- J Med Chem 46: 2795-812 (2003) 6
- Trends Pharmacol Sci 18: 104-7 (1997) 5
- Neuropharmacology 36: 621-9 (1997) 5
- Bioorg Med Chem Lett 24: 3744-7 (2014) 4
- J Med Chem 57: 4543-57 (2014) 4
- Eur J Pharmacol 347: 301-9 (1998) 4
- Br J Pharmacol 130: 692-8 (2000) 3
- Naunyn Schmiedebergs Arch Pharmacol 370: 114-23 (2004) 3
- Eur J Med Chem 92: 221-35 (2015) 3
- Bioorg Med Chem Lett 26: 2333-8 (2016) 3
- Naunyn Schmiedebergs Arch Pharmacol 356: 328-34 (1997) 3
- Mol Pharmacol 64: 1295-308 (2003) 3
- Bioorg Med Chem Lett 28: 2039-2049 (2018) 3
- J Med Chem 64: 12603-12629 (2021) 3
- Neuron 11: 449-58 (1993) 2
- Chem Biol Drug Des 89: 339-352 (2017) 2
- Naunyn Schmiedebergs Arch Pharmacol 350: 356-60 (1994) 2
- J Nat Prod 84: 713-723 (2021) 2
- J Med Chem 60: 7483-7501 (2017) 2
- Nature 305: 140-2 (1983) 2
- Mol Pharmacol 43: 313-9 (1993) 2
- Proc Natl Acad Sci U S A 90: 3452-6 (1993) 2
- Eur J Med Chem 123: 332-353 (2016) 2
- Biochem Pharmacol 45: 1003-9 (1993) 2
- Neuropharmacology 36: 713-20 (1997) 2
- J Biol Chem 268: 18200-4 (1993) 2
- Eur J Med Chem 191: (2020) 2
- Br J Pharmacol 115: 107-16 (1995) 2
- Mol Pharmacol 12: 800-12 (1976) 2
- J Biol Chem 268: 23422-6 (1993) 2
- Mol Pharmacol 43: 320-7 (1993) 2
- EMBO J 11: 4779-86 (1992) 1
- Mol Pharmacol 42: 180-5 (1992) 1
- J Nat Prod 69: 432-5 (2006) 1
- Bioorg Med Chem 16: 2570-8 (2008) 1
- Eur J Med Chem 207: (2020) 1
- J Med Chem 53: 2521-7 (2010) 1
- Br J Pharmacol 124: 1300-6 (1998) 1
- Bioorg Med Chem Lett 18: 738-43 (2008) 1
- J Med Chem 46: 265-83 (2003) 1
- Eur J Med Chem 183: (2019) 1
- Eur J Med Chem 225: (2021) 1
- J Neurochem 66: 47-56 (1996) 1
- Mol Pharmacol 40: 143-8 (1991) 1
- Proc Natl Acad Sci U S A 90: 408-12 (1993) 1
- J Pharmacol Exp Ther 269: 246-55 (1994) 1
- FEBS Lett 333: 25-31 (1993) 1
- Biochem Biophys Res Commun 184: 752-9 (1992) 1
- Bioorg Med Chem Lett 29: (2019) 1
- ...
Institutions 39▿
- University Of Alberta 29
- Jagiellonian University Medical College 13
- Roche Bioscience 10
- Virginia Commonwealth University 6
- Friedrich Alexander University 4
- Uppsala University 4
- The Scripps Research Institute 4
- Adamed 4
- Synaptic Pharmaceutical 4
- National Institute Of Neurological Disorders And Stroke 4
- Friedrich-Schiller-University Jena 3
- Jagiellonian University Collegium Medicum 3
- Universidad De Guanajuato 3
- Glaxosmithkline 3
- RhôNe-Poulenc Rorer 3
- Vernalis Research 3
- Cnrs 3
- Syntex Discovery Research 2
- TBA 2
- Sandoz Pharma 2
- College Of France 2
- F. Hoffmann-La Roche 2
- Universidad Nacional Aut£Noma De M£Xico 2
- University Of Canterbury 2
- Shanghai Jiao Tong University 2
- Smithkline Beecham Pharmaceuticals 1
- Seattle Veterans Affairs Medical Center 1
- Veterans Affairs Medical Center 1
- China State Institute Of Pharmaceutical Industry 1
- Korea Research Institute Of Chemical Technology 1
- University Of Washington 1
- Tom'S Of Maine 1
- Normandie Univ 1
- H. Lundbeck 1
- University Of Heidelberg Zmbh 1
- University Of Pennsylvania 1
- Jiangsu Ocean University 1
- Institute Of Science And Technology 1
- Wyeth Research 1
- ...
Affinity: 0.060 to 2.0E+4 nM▿
- Ki 128
- IC50 13
- EC50 5
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 0
Catalog Cmpds: 1