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  130 KI  13 IC50  5 EC50

PDB links: 2 PDB IDs match this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 78940   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  2.20nMAssay Description:Ability to displace [3H]5-CT (2.0 nM) from HeLa cells of human 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  4nMAssay Description:Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation countin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  4.60nMAssay Description:Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in membranes after 60 mins by microbeta scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  4.80nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in CHO-K1 cell membranes incubated for 60 mins by microbeta scintillation counting...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
The Scripps Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  8.70nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  22.2nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  22.4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  24.5nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  24.6nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  79.4nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
The Scripps Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  89.1nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  631nMAssay Description:Binding affinity to 5-HT1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(RABBIT)
University of Montana

Curated by PDSP Ki Database
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  810nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
The Scripps Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
Affinity DataKi:  1.15E+3nMMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
H. Lundbeck

Curated by ChEMBL
LigandPNGBDBM78940(METHIOTHEPIN | MLS000859918 | Methiothepin mesylat...)
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 DepthDetails ArticlePubMed