BDBM50276593 CHEMBL462311::trans-2-(Aminoethyl)-5-(2'-methoxy-5'-fluorophenethyl)tetrahydrofuran
SMILES: COc1ccc(F)cc1CC[C@H]1CC[C@H](CCN)O1
InChI Key: InChIKey=FOEJRTWJHDIANT-UONOGXRCSA-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)) | BDBM50276593 (CHEMBL462311 | trans-2-(Aminoethyl)-5-(2'-methoxy-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Displacement of [125I]RTI55 from human SERT expressed in HEK cells | Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50276593 (CHEMBL462311 | trans-2-(Aminoethyl)-5-(2'-methoxy-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Displacement of [125I]RTI55 from human NET expressed in HEK cells | Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50276593 (CHEMBL462311 | trans-2-(Aminoethyl)-5-(2'-methoxy-...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Displacement of [125I]RTI55 from human DAT expressed in HEK cells | Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50276593 (CHEMBL462311 | trans-2-(Aminoethyl)-5-(2'-methoxy-...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 481 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Inhibition of [3H]norepinephrine reuptake at human NET expressed in HEK cells | Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50276593 (CHEMBL462311 | trans-2-(Aminoethyl)-5-(2'-methoxy-...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK cells | Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50276593 (CHEMBL462311 | trans-2-(Aminoethyl)-5-(2'-methoxy-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Human BioMolecular Research Institute Curated by ChEMBL | Assay Description Inhibition of [3H]serotonin reuptake at human SERT expressed in HEK cells | Bioorg Med Chem 17: 2047-68 (2009) Article DOI: 10.1016/j.bmc.2009.01.023 BindingDB Entry DOI: 10.7270/Q2057GV0 | |||||||||||
More data for this Ligand-Target Pair |