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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
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universit£t Freiburg Curated by ChEMBL | Assay Description Ability to displace [3H](+)-pentazocine from Sigma opioid receptor type 1 of guinea pig brain | J Med Chem 45: 4923-30 (2002) BindingDB Entry DOI: 10.7270/Q2HH6KS2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.29 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain by scintillation analyzer | Bioorg Med Chem 19: 3141-51 (2011) Article DOI: 10.1016/j.bmc.2011.04.002 BindingDB Entry DOI: 10.7270/Q2D21XXP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Sigma opioid receptor type 1 affinity in guinea pig brain by employing [3H](+)-pentazocine as radioligand. | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma-1 receptor (Cavia porcellus (Guinea pig)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
Universite de Lille | Assay Description Binding assay using sigma receptors. | Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma-1 receptor (Cavia porcellus (Guinea pig)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in Dunkin Hartley guinea pig brain membranes after 150 mins by liquid scintillation countin... | J Med Chem 62: 4204-4217 (2019) Article DOI: 10.1021/acs.jmedchem.9b00449 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting | J Med Chem 54: 6704-13 (2011) Article DOI: 10.1021/jm200585k BindingDB Entry DOI: 10.7270/Q22R3SN0 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie Curated by ChEMBL | Assay Description Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 180 mins by solid scintillation counting | Eur J Med Chem 53: 327-36 (2012) Article DOI: 10.1016/j.ejmech.2012.04.018 BindingDB Entry DOI: 10.7270/Q23R0TWQ | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain after 180 mins by scintillation counting | Eur J Med Chem 44: 4306-14 (2009) Article DOI: 10.1016/j.ejmech.2009.07.017 BindingDB Entry DOI: 10.7270/Q2G73FPV | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis | Bioorg Med Chem 21: 1844-56 (2013) Article DOI: 10.1016/j.bmc.2013.01.038 BindingDB Entry DOI: 10.7270/Q2JH3NJX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 2 hrs by scintillation counting | Bioorg Med Chem 24: 4045-4055 (2016) BindingDB Entry DOI: 10.7270/Q2Q2425D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Pharmazeutische and Medizinische Chemie der Universität Müünster Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane | J Med Chem 51: 6531-7 (2008) Article DOI: 10.1021/jm8007739 BindingDB Entry DOI: 10.7270/Q28S4PRP | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut f£r Pharmazeutische und Medizinische Chemie der Westf£lischen Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain cortex membranes | Bioorg Med Chem 22: 4277-84 (2014) Article DOI: 10.1016/j.bmc.2014.05.033 BindingDB Entry DOI: 10.7270/Q29C702R | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma-1 receptor (Cavia porcellus (Guinea pig)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universit£t Freiburg Curated by ChEMBL | Assay Description Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver | J Med Chem 45: 4923-30 (2002) BindingDB Entry DOI: 10.7270/Q2HH6KS2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine as radioligand | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of [125I]NKA binding to human Tachykinin receptor 2 (NK2) | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dopamine D1 receptor (Mus musculus (Mouse)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of SCH 23390 binding to Dopamine receptor D1 | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| NMDA receptor subunit 2C (GluN2C) (Rattus norvegicus (Rat)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of MK 801 binding to NMDA, PCP receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Glycine receptor alpha-4 chain (Mus musculus) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of MDL 105519 binding to NMDA, glycine receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of [125I][MePhe7]-NKB binding to human Tachykinin receptor 3 (NK3) | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Histamine H1 receptor (Homo sapiens (Human)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of mepyramine binding to Histamine H1 receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description The compound was tested for inhibition of dopamine reuptake | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 3A (Homo sapiens (Human)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of GR-65630 binding to 5-hydroxytryptamine 3 receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of ketanserin binding to 5-hydroxytryptamine 2A receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of [Sar9,Met(O2)11]-SP binding to human Tachykinin receptor 1 (NK1) | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| 5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of 5-OH-DPAT binding to 5-hydroxytryptamine 1A receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Alpha-2A adrenergic receptor (Homo sapiens (Human)) | BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pharmazeutisches Institut der Universität Freiburg Curated by ChEMBL | Assay Description Inhibition of idazoxane binding to noradrenaline alpha-2 receptor | J Med Chem 45: 438-48 (2002) BindingDB Entry DOI: 10.7270/Q2VT1RDH | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
