BDBM50126349 2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperazin-1-yl)methyl)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one::2-(4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperazin-1-ylmethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one::CHEMBL27748
SMILES: COc1ccc2C(=O)C(CN3CCN(CCOC(c4ccc(F)cc4)c4ccc(F)cc4)CC3)CCc2c1
InChI Key: InChIKey=YHMABVAVFRAMNQ-UHFFFAOYSA-N
Data: 4 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)) | BDBM50126349 (2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperaz...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.96 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights Curated by ChEMBL | Assay Description Displacement of [125I]RTI55 from SERT in rat brain synaptosomes | Bioorg Med Chem 15: 1146-59 (2006) Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50126349 (2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperaz...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Binding affinity towards rat serotonin transporter (SERT) | Bioorg Med Chem Lett 13: 1385-9 (2003) BindingDB Entry DOI: 10.7270/Q2VX0FV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50126349 (2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperaz...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Binding affinity of the compound towards dopamine transporter (DAT) | Bioorg Med Chem Lett 13: 1385-9 (2003) BindingDB Entry DOI: 10.7270/Q2VX0FV8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50126349 (2-((4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperaz...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University Heights Curated by ChEMBL | Assay Description Displacement of [125I]RTI55 from DAT in rat brain synaptosomes | Bioorg Med Chem 15: 1146-59 (2006) Article DOI: 10.1016/j.bmc.2006.09.070 BindingDB Entry DOI: 10.7270/Q2M61JXC | |||||||||||
More data for this Ligand-Target Pair |