BDBM50108659 1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-piperidine]::1'-benzyl-3-methoxy-3H-spiro[isobenzofuran-1,4'-piperidine]::1'-benzyl-3-methoxyspiro[1,3-dihydroisobenzofuran-1,4'-(hexahydropyridine)]::CHEMBL138809
SMILES: COC1OC2(CCN(Cc3ccccc3)CC2)c2ccccc12
InChI Key: InChIKey=RZZAEVQHACUOGI-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 |
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Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | 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-type opioid receptor after 120 mins by scintillation counting analysis | J Med Chem 55: 5350-60 (2012) Article DOI: 10.1021/jm300302p BindingDB Entry DOI: 10.7270/Q2VX0HMZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | 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 membrane after 180 mins by scintillation counting | J Med Chem 52: 6062-72 (2009) Article DOI: 10.1021/jm900909e BindingDB Entry DOI: 10.7270/Q2KH0ND9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10 | 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 non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institut für Pharmazeutische und Medizinische Chemie der Universität Münster Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by solid scintillation analysis | Bioorg Med Chem 17: 3630-41 (2009) Article DOI: 10.1016/j.bmc.2009.03.060 BindingDB Entry DOI: 10.7270/Q2BZ65XT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.10 | 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)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | 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)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.10 | 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 (Homo sapiens (Human)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.14 | 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)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Westf£lische Wilhelms-Universit£t M£nster Curated by ChEMBL | Assay Description Displacement of [3H](+)-pentazocine from sigma 1 opioid receptor in guinea pig brain membrane | Bioorg Med Chem 16: 2992-3001 (2008) Article DOI: 10.1016/j.bmc.2007.12.045 BindingDB Entry DOI: 10.7270/Q2N017CQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.28E+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) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.28E+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 | |||||||||||||
Glycine receptor alpha-4 chain (Mus musculus) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | 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 | |||||||||||||
Histamine H1 receptor (Homo sapiens (Human)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | 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 | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | 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 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 | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB Reactome pathway KEGG 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 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 | |||||||||||||
NMDA receptor subunit 2C (GluN2C) (Rattus norvegicus (Rat)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | 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 | |||||||||||||
5-hydroxytryptamine receptor 3A (Homo sapiens (Human)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | 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 | |||||||||||||
Neuromedin-K receptor (Homo sapiens (Human)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | 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 | |||||||||||||
Dopamine D1 receptor (Mus musculus (Mouse)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | 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 | |||||||||||||
Neurokinin 1 receptor (Homo sapiens (Human)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | 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 | |||||||||||||
Neurokinin 2 receptor (Homo sapiens (Human)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | 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 | |||||||||||||
5-hydroxytryptamine receptor 1A (5HT1A) (Mus musculus (Mouse)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | 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)) | BDBM50108659 (1'-benzyl-3-methoxy-3H-spiro[2-benzofuran-1,4'-pip...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.20E+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 |