BDBM50080568 1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phenethyl-piperazin-2-one::CHEMBL122859
SMILES: Fc1ccc(cc1)C(OCCN1CCN(CCc2ccccc2)CC1=O)c1ccc(F)cc1
InChI Key: InChIKey=UKJAARKQBNAPHJ-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50080568 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phen...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 114 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital Curated by ChEMBL | Assay Description Inhibition of [125I]RTI-55 binding to serotonin transporter (SERT) expressed in HEK cells | J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50080568 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phen...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.43E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital Curated by ChEMBL | Assay Description Inhibition of [125I]RTI-55 binding at Dopamine transporter (DAT) expressed in HEK cells | J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50080568 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phen...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 7.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital Curated by ChEMBL | Assay Description Inhibition of [125I]RTI-55 binding to norepinephrine transporter (NET) expressed in HEK cells | J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50080568 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phen...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital Curated by ChEMBL | Assay Description Inhibition of [3H]- 5-HT uptake in HEK cells expressing serotonin transporter | J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50080568 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phen...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital Curated by ChEMBL | Assay Description Inhibition of [3H]DA uptake in HEK cells expressing dopamine transporter | J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50080568 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-phen...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >10 | n/a | n/a | n/a | n/a | n/a | n/a |
Massachusetts General Hospital Curated by ChEMBL | Assay Description Inhibition of [3H]- NE uptake in HEK cells expressing norepinephrine transporter | J Med Chem 42: 3647-56 (1999) Article DOI: 10.1021/jm990161h BindingDB Entry DOI: 10.7270/Q2BG2PPJ | |||||||||||
More data for this Ligand-Target Pair |