BDBM50138477 8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2-ylmethyl)-8-aza-bicyclo[3.2.1]oct-2-en-3-yl]-quinoline::CHEMBL348708
SMILES: COc1cccc2OC[C@H](CN3C4CCC3C=C(C4)c3cccc4cccnc34)Oc12
InChI Key: InChIKey=NDBSQHOHKNHYKI-CBNMVNINSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50138477 (8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibitory activity of compound against serotonin transport by RB5-5-HT transporter | Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat)) | BDBM50138477 (8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor | Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM50138477 (8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 307 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [3H]-8-OH-DPAT from human 5-hydroxytryptamine 1A receptor expressed in CHO cells | Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50138477 (8-[8-((S)-8-Methoxy-2,3-dihydro-benzo[1,4]dioxin-2...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 109 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibitory activity of compound against serotonin transport by HC5-5-HT transporter | Bioorg Med Chem Lett 14: 515-8 (2003) BindingDB Entry DOI: 10.7270/Q247499J | |||||||||||
More data for this Ligand-Target Pair |