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  131 KI  13 IC50  5 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 149 hits for monomerid = 78940   

TargetUbiquitin-conjugating enzyme E2 N(Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/2/2011
Entry Details
PCBioAssay
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 11nMAssay Description:Antagonist activity at human recombinant 5-HT6 receptor assessed as inhibition of serotonin-induced cAMP accumulationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 1.5nMAssay Description:Antagonist activity at human recombinant 5-HT7 receptor assessed as inhibition of serotonin-induced cAMP accumulationMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 4.70nMAssay Description:Agonist activity at human 5-HT6 receptor expressed in CHOK1 cells assessed as calcium mobilization by radiometric and luminescence plate counting met...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2016
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 4.70nMAssay Description:Antagonist activity against human recombinant 5-HT6 receptor expressed in CHOK1 cells assessed as reduction in serotonin-induced increase in intracel...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/20/2016
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 127nMAssay Description:Antagonist activity at human cloned 5HT6 receptor expressed in HeLa cells assessed as inhibition of 5-HT-stimulated cAMP accumulation after 20 mins b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/11/2009
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 21nMAssay Description:Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/30/2017
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 2.40nMAssay Description:Displacement of [3H]LSD from human 5HT6 receptor by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 71nMAssay Description:Antagonistic activity at 5-HT1A receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 assessed as inhibition of serotonin-induc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2018
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 56nMAssay Description:Antagonistic activity at 5-HT2A receptor (unknown origin) expressed in CHOK1 cells co-expressing G-alpha 15 assessed as inhibition of serotonin-induc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/26/2018
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 3.10nMAssay Description:Displacement of [3H]LSD from human recombinant 5HT7 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/15/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataEC50:  0.600nMAssay Description:Displacement of [3H]lysergic acid from human recombinant 5HT7 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2012
Entry Details Article
PubMed
TargetG protein-coupled receptor(HHV-5)
Friedrich Alexander University

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataEC50:  330nMAssay Description:Allosteric modulatory activity at FLAG-tagged human cytomegalovirus US28 receptor delta300 mutant expressed in HEK293T cells by PathDetectElk1 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetG protein-coupled receptor(HHV-5)
Friedrich Alexander University

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataEC50:  331nMAssay Description:Allosteric modulatory activity at FLAG-tagged human cytomegalovirus US28 receptor delta300 mutant expressed in HEK293T cells by PathDetectElk1 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetG-protein coupled receptor homolog US28(HHV-5)
Friedrich Alexander University

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataEC50:  355nMAssay Description:Allosteric modulatory activity at FLAG-tagged wild type human cytomegalovirus US28 receptor expressed in HEK293T cells by PathDetectElk1 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
TargetG-protein coupled receptor homolog US28(HHV-5)
Friedrich Alexander University

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataEC50:  350nMAssay Description:Allosteric modulatory activity at FLAG-tagged wild type human cytomegalovirus US28 receptor expressed in HEK293T cells by PathDetectElk1 assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/3/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 0.820nMAssay Description:Antagonist activity at 5HT7R receptor (unknown origin) assessed as forskolin-mediated cAMP accumulation preincubated for 30 mins followed by forskoli...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/25/2021
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataIC50: 11nMAssay Description:Antagonist activity at human 5HT7 receptor expressed in CHO-K1 cells assessed as inhibition of 5CT-induced calcium flux incubated for 60 mins at 37 d...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/26/2022
Entry Details Article
PubMed
TargetAlpha-1A adrenergic receptor(Guinea pig)
Uppsala University

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.0600nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Human)
Shanghai Jiao Tong University

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.100nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.190nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1B(Human)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.200nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2A(Rat)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.25nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]LSD from human 5HT6 receptor expressed in CHO-K1 membrane incubated for 60 mins by solid scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]-LSD from human 5HT6R expressed in CHO-K1 cell membranes incubated for 1 hr by scintillation counter methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/24/2022
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2C(Human)
Roche Bioscience

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.340nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/26/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.380nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.380nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.380nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.390nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/2/2012
Entry Details
PubMed
Target5-hydroxytryptamine receptor 6(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.390nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/23/2011
Entry Details
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.400nMpH: 7.4Assay Description:Binding experiments were conducted in 96-well microplates in a total volume of 250 μL of buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl2, 1 mM EDTA)....More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/26/2017
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.400nMAssay Description:Binding affinity towards human 5-hydroxytryptamine 6 receptor was evaluated using [3H]-LSD as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.420nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2012
Entry Details Article
PubMed
TargetAlpha-1A adrenergic receptor(Guinea pig)
Uppsala University

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2012
Entry Details Article
PubMed
TargetAlpha-1B adrenergic receptor(Pig)
Uppsala University

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.5nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.550nMAssay Description:Displacement of [3H]-LSD from recombinant human 5HT7 receptor expressed in CHOK1 cell membranes measured after 120 mins by microbeta counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Mouse)
Glaxosmithkline

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.560nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/29/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  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
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1D(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.580nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 2B(Human)
Eli Lilly

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.580nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/3/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.700nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/30/2011
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.700nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.900nMAssay Description:Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cell membrane after 120 mins by liquid scintillation counting analy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.900nMAssay Description:Displacement of [3H]LSD from recombinant human 5-HT6 receptor expressed in CHO cells cell membranes after 60 mins by liquid scintillation counting me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/16/2020
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  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
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  0.977nMAssay Description:Displacement of [3H]-LSD from recombinant human 5HT6 receptor expressed in CHOK1 cell membranes measured after 1 hr by microbeta counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/24/2022
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
In Depth
Date in BDB:
2/25/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 7(Rat)
University of Alberta

Curated by PDSP Ki Database
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
In Depth
Date in BDB:
4/23/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 6(Human)
Adamed

Curated by ChEMBL
LigandPNGBDBM78940(methanesulfonic acid;1-methyl-4-(3-methylsulfanyl-...)
Affinity DataKi:  1nMpH: 7.4Assay Description:Binding experiments were conducted in 96-well microplates in a total volume of 250 μL of buffer (50 mM Tris-HCl pH 7.4, 10 mM MgCl2, 0.5 mM EDTA...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/26/2017
Entry Details Article
PubMed
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