BDBM50108653 1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromene-1,4'-(hexahydropyridine)]::1'-benzyl-3-methoxyspiro[isochroman-1,4'-piperidine]::CHEMBL141209

SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1

InChI Key InChIKey=POOPPNNSPMKABZ-UHFFFAOYSA-N

Data  16 KI  12 IC50

  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 28 hits for monomerid = 50108653   

TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Pharmazeutisches Institut Der Universit£T Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.29nMAssay Description:Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brainMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.29nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain by scintillation analyzerMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Pharmazeutisches Institut Der Universit£T Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-pentazocine as radioligand.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]-pentazocine from guinea pig brain sigma 1 receptor incubated for 8 hrs by liquid scintillation counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H](+)pentazocine from sigma-1 receptor in Cavia porcellus (guinea pig) brain membranesMore data for this Ligand-Target Pair
In DepthDetails Article
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in Dunkin Hartley guinea pig brain membranes after 150 mins by liquid scintillation countin...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 180 mins by solid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain after 180 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 2 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Cavia porcellus (Guinea pig))
Institut F£R Pharmazeutische Und Medizinische Chemie Der Universit£T M£Nster

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes measured after 150 mins by liquid scintillation counting meth...More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSigma non-opioid intracellular receptor 1(RAT)
Pharmazeutisches Institut Der Universit£T Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  3.50E+3nMAssay Description:Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liverMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(RAT)
Pharmazeutisches Institut Der Universit£T Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataKi:  3.50E+3nMAssay Description:Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-K receptor(Homo sapiens (Human))
Pharmazeutisches Institut Der UniversitäT Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of [125I]NKA binding to human Tachykinin receptor 2 (NK2)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(1A) dopamine receptor(Mus musculus (Mouse))
Pharmazeutisches Institut Der UniversitäT Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of SCH 23390 binding to Dopamine receptor D1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlutamate receptor ionotropic, NMDA 2C(Rattus norvegicus (Rat))
Pharmazeutisches Institut Der UniversitäT Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of MK 801 binding to NMDA, PCP receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlycine receptor subunit alpha-4(Mus musculus)
Pharmazeutisches Institut Der UniversitäT Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of MDL 105519 binding to NMDA, glycine receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Homo sapiens (Human))
Pharmazeutisches Institut Der UniversitäT Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of [125I][MePhe7]-NKB binding to human Tachykinin receptor 3 (NK3)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Pharmazeutisches Institut Der UniversitäT Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of mepyramine binding to Histamine H1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
Pharmazeutisches Institut Der UniversitäT Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataIC50:  5.90E+3nMAssay Description:The compound was tested for inhibition of dopamine reuptakeMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 3A(Homo sapiens (Human))
Pharmazeutisches Institut Der UniversitäT Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of GR-65630 binding to 5-hydroxytryptamine 3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Pharmazeutisches Institut Der UniversitäT Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataIC50:  6.60E+3nMAssay Description:Inhibition of ketanserin binding to 5-hydroxytryptamine 2A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target5-hydroxytryptamine receptor 1A(Mus musculus (Mouse))
Pharmazeutisches Institut Der UniversitäT Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataIC50: >1.00E+3nMAssay Description:Inhibition of 5-OH-DPAT binding to 5-hydroxytryptamine 1A receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Pharmazeutisches Institut Der UniversitäT Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of [Sar9,Met(O2)11]-SP binding to human Tachykinin receptor 1 (NK1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Pharmazeutisches Institut Der UniversitäT Freiburg

Curated by ChEMBL
LigandPNGBDBM50108653(1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of idazoxane binding to noradrenaline alpha-2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed