BDBM50035097 1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-piperidine](L-687,384)::1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-piperidine]; HCl::1''-benzylspiro[1,2,3,4-tetrahydronaphthalene-1,4''-(hexahydropyridine)]::1'-benzylspiro[1,2,3,4-tetrahydronaphthalene-1,4'-(hexahydropyridine)](L-687,384)::CHEMBL1256916::CHEMBL303336::L-687384
SMILES: C(N1CCC2(CCCc3ccccc23)CC1)c1ccccc1
InChI Key: InChIKey=MLDCBJPLHBPJET-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-1 receptor (Cavia porcellus (Guinea pig)) | BDBM50035097 (1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-National Chemical Laboratory Curated by ChEMBL | Assay Description Displacement of [3H]-(+)pentazocine from sigma-1 receptor in guinea pig brain membranes after 180 mins by scintillation counting method | J Med Chem 61: 3779-3798 (2018) Article DOI: 10.1021/acs.jmedchem.7b00718 BindingDB Entry DOI: 10.7270/Q2GT5QTK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50035097 (1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Binding affinity for sigma receptor of guinea pig whole brain using [3H]-SKF- 100047 radioligand | J Med Chem 37: 364-70 (1994) BindingDB Entry DOI: 10.7270/Q2WD416F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma intracellular receptor 2 (Rattus norvegicus (Rat)) | BDBM50035097 (1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 44 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CSIR-National Chemical Laboratory Curated by ChEMBL | Assay Description Displacement of [3H]-DTG from sigma-2 receptor in rat liver membranes after 180 mins by scintillation counting method | J Med Chem 61: 3779-3798 (2018) Article DOI: 10.1021/acs.jmedchem.7b00718 BindingDB Entry DOI: 10.7270/Q2GT5QTK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50035097 (1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
DuPont Merck Pharmaceutical Company Curated by ChEMBL | Assay Description Binding affinity for dopamine D2 receptor using [3H]spiperone in guinea pig striatum | J Med Chem 37: 364-70 (1994) BindingDB Entry DOI: 10.7270/Q2WD416F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50035097 (1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Compound was evaluated for the binding affinity towards Sigma receptor type 1 using radioligand ([3H]-(+)- Pentazocine) binding assay. | J Med Chem 38: 2009-17 (1995) BindingDB Entry DOI: 10.7270/Q2NS0VKD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human)) | BDBM50035097 (1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description In vitro binding affinity against sigma receptor by using [3H]-DTG ([3H]-6) as radioligand in guinea pig cerebellum. | J Med Chem 35: 2033-9 (1992) BindingDB Entry DOI: 10.7270/Q2GX4CVJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50035097 (1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 955 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL | Assay Description In vitro for the binding affinity against dopamine receptor D2 by using [3H](-)-sulpiride as radioligand in rat striatum. | J Med Chem 35: 2033-9 (1992) BindingDB Entry DOI: 10.7270/Q2GX4CVJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50035097 (1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Binding affinity towards 5-hydroxytryptamine 1A receptor binding site using [3H]8-OH-DPAT . | J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM50035097 (1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Binding affinity towards Dopamine receptor D2 binding site using [3H]spiroperidol. | J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50035097 (1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 0.260 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Binding affinity towards sigma receptor binding site 1 using [3H](+)-pentazocine | J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sigma non-opioid intracellular receptor 1 (RAT) | BDBM50035097 (1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Binding affinity towards Sigma receptor type 2 in whole rat brain homogenates except cerebellum using radioligand ([3H]DTG) binding assay. | J Med Chem 38: 2009-17 (1995) BindingDB Entry DOI: 10.7270/Q2NS0VKD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50035097 (1''-benzyl-3,4-dihydro-2H-spiro[naphthalene-1,4''-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
H. Lundbeck A/S Curated by ChEMBL | Assay Description Binding affinity towards 5-hydroxytryptamine 2A receptor binding site using [3H]ketanserin . | J Med Chem 38: 1998-2008 (1995) BindingDB Entry DOI: 10.7270/Q2SJ1M8P | |||||||||||
More data for this Ligand-Target Pair |