BDBM50082412 1-phenyl-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-3,4'-(hexahydropyridine)]-1-yl-2-propanol::4-phenyl-1-spiro[1,3-dihydrobenzo[e]isobenzofuran-3,4'-(hexahydropyridine)]-1-yl-2-butanol::CHEMBL114453
SMILES: OC(CCc1ccccc1)CN1CCC2(CC1)OCc1c2ccc2ccccc12
InChI Key: InChIKey=VDHDMUDOZMDKBK-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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5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50082412 (1-phenyl-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibition constant against 5-hydroxytryptamine 1A receptor | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50082412 (1-phenyl-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Curated by ChEMBL | Assay Description Displacement of specific [3H]- 5-HT binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells | Bioorg Med Chem Lett 9: 3243-8 (1999) BindingDB Entry DOI: 10.7270/Q2W37WVB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50082412 (1-phenyl-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organon Laboratories Curated by ChEMBL | Assay Description Inhibition constant against serotonin transporter | J Med Chem 48: 6523-43 (2005) Article DOI: 10.1021/jm058225d BindingDB Entry DOI: 10.7270/Q2SF2WZ9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50082412 (1-phenyl-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Curated by ChEMBL | Assay Description Displacement of specific [3H]- citalopram binding to 5-HT uptake site in rat whole cortex | Bioorg Med Chem Lett 9: 3243-8 (1999) BindingDB Entry DOI: 10.7270/Q2W37WVB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50082412 (1-phenyl-3-spiro[1,3-dihydrobenzo[e]isobenzofuran-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 37 | n/a | n/a | n/a | n/a |
Merck Curated by ChEMBL | Assay Description Stimulation of [35S]- GIPyS binding to cloned human 5-hydroxytryptamine 1A receptor stably expressed in HeLa cells | Bioorg Med Chem Lett 9: 3243-8 (1999) BindingDB Entry DOI: 10.7270/Q2W37WVB | |||||||||||
More data for this Ligand-Target Pair |