BDBM50198599 1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-yloxy)propyl)piperidin-4-ol::CHEMBL394800
SMILES: COc1ccc(cc1)C1CN(C)Cc2cc(OCCCN3CCC(O)CC3)ccc12
InChI Key: InChIKey=CPILYYRWNUVSHU-UHFFFAOYSA-N
Data: 3 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 (Rattus norvegicus (rat)) | BDBM50198599 (1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL | Assay Description Binding affinity to rat SERT | Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50198599 (1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL | Assay Description Binding affinity to human SERT | Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histamine H3 receptor (Homo sapiens (Human)) | BDBM50198599 (1-(3-(4-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahy...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL | Assay Description Binding affinity to human histamine H3 receptor | Bioorg Med Chem Lett 17: 702-6 (2007) Article DOI: 10.1016/j.bmcl.2006.10.089 BindingDB Entry DOI: 10.7270/Q23B5ZSS | |||||||||||
More data for this Ligand-Target Pair |