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SMILES COc1ccccc1N1CCN(CCC(=O)c2csc3ccccc23)CC1

InChI Key InChIKey=VFVYVWQENQPQHA-UHFFFAOYSA-N

  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 7 hits for monomerid = 50102338   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universidade de S£o Paulo

Curated by ChEMBL
LigandPNGBDBM50102338(1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-pi...)copy SMILEScopy InChI
Affinity DataKi:  43.6nMAssay Description:Binding affinity to 5HT1A receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SQ91NBPubMed
Target5-hydroxytryptamine receptor 1A(Rattus norvegicus (rat))
Universidad de Navarra

Curated by ChEMBL
LigandPNGBDBM50102338(1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-pi...)copy SMILEScopy InChI
Affinity DataKi:  44nMAssay Description:Binding affinity to 5-hydroxytryptamine 1A receptor (5-HT 1A receptor, serotonin receptor) from rat cortex using [3H]-8-OH-DPAT as radioligandMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22B8XBCPubMed
TargetSodium-dependent serotonin transporter(Rattus norvegicus (rat))
Universidad de Navarra

Curated by ChEMBL
LigandPNGBDBM50102338(1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-pi...)copy SMILEScopy InChI
Affinity DataKi:  105nMAssay Description:Binding affinity towards Serotonin transporter from rat cortex measured using [3H]-paroxetineMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22B8XBCPubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Universidad de Navarra

Curated by ChEMBL
LigandPNGBDBM50102338(1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-pi...)copy SMILEScopy InChI
Affinity DataKi:  500nMAssay Description:Affinity of the compound at dopamine D2 receptor, (For haloperidol Ki(nM)= 1.5+/-1.2)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22B8XBCPubMed
Target5-hydroxytryptamine receptor 2A(Rattus norvegicus (rat))
Universidad de Navarra

Curated by ChEMBL
LigandPNGBDBM50102338(1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-pi...)copy SMILEScopy InChI
Affinity DataKi:  5.00E+3nMAssay Description:Affinity of the compound at 5-hydroxytryptamine 2 receptor (For ketanserin = Ki(nM)= 0.7+/-0.09)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22B8XBCPubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Universidad de Navarra

Curated by ChEMBL
LigandPNGBDBM50102338(1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-pi...)copy SMILEScopy InChI
Affinity DataKi:  5.00E+3nMAssay Description:Affinity of the compound at 5-hydroxytryptamine 1D receptor (For sumatriptan = Ki (nM)-12+/-1.9)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22B8XBCPubMed
Target5-hydroxytryptamine receptor 3A(RAT)
Universidad de Navarra

Curated by ChEMBL
LigandPNGBDBM50102338(1-Benzo[b]thiophen-3-yl-3-[4-(2-methoxy-phenyl)-pi...)copy SMILEScopy InChI
Affinity DataKi: >5.00E+3nMAssay Description:Affinity of the compound at 5-hydroxytryptamine 3 receptor (For granisetron = Ki (nM)=0.3+/-0.01)More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q22B8XBCPubMed