BDBM50205668 4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)propoxy)-1,2,3,4-tetrahydro-2,6-naphthyridine::CHEMBL238052
SMILES: COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCCCC3)ncc12
InChI Key: InChIKey=PRLJSGHDMGISHB-UHFFFAOYSA-N
Data: 5 KI
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)) | BDBM50205668 (4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL | Assay Description Binding affinity at human histamine H3 | Bioorg Med Chem Lett 17: 5325-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.017 BindingDB Entry DOI: 10.7270/Q24749K4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50205668 (4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL | Assay Description Displacement of N-[3H]alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells | Bioorg Med Chem Lett 17: 2566-9 (2007) Article DOI: 10.1016/j.bmcl.2007.02.006 BindingDB Entry DOI: 10.7270/Q2TX3F2S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50205668 (4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL | Assay Description Binding affinity to rat SERT | Bioorg Med Chem Lett 17: 2566-9 (2007) Article DOI: 10.1016/j.bmcl.2007.02.006 BindingDB Entry DOI: 10.7270/Q2TX3F2S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50205668 (4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development L.L.C. Curated by ChEMBL | Assay Description Binding affinity at human SERT | Bioorg Med Chem Lett 17: 5325-9 (2007) Article DOI: 10.1016/j.bmcl.2007.08.017 BindingDB Entry DOI: 10.7270/Q24749K4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50205668 (4-(4-methoxyphenyl)-2-methyl-7-(3-(piperidin-1-yl)...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research & Development L.L.C. Curated by ChEMBL | Assay Description Binding affinity to human SERT | Bioorg Med Chem Lett 17: 2566-9 (2007) Article DOI: 10.1016/j.bmcl.2007.02.006 BindingDB Entry DOI: 10.7270/Q2TX3F2S | |||||||||||
More data for this Ligand-Target Pair |