BDBM50073436 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodophenyl)methanol::CHEMBL114275::CHEMBL2314219::[2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-iodo-phenyl]-methanol
SMILES: CN(C)Cc1ccccc1Sc1ccc(I)cc1CO
InChI Key: InChIKey=WDZSPNFWRVITEJ-UHFFFAOYSA-N
Data: 10 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)) | BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells | J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description In vitro binding affinity of the compound against Serotonin transporter (SERT) from LLC-PK1 cell membranes. | J Med Chem 42: 333-5 (1999) Article DOI: 10.1021/jm9806751 BindingDB Entry DOI: 10.7270/Q2TX3DJN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand | J Med Chem 45: 4716-23 (2002) BindingDB Entry DOI: 10.7270/Q23N22RJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0970 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Binding affinity to SERT (unknown origin) | Bioorg Med Chem Lett 23: 869-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.043 BindingDB Entry DOI: 10.7270/Q2V989DM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM Curated by ChEMBL | Assay Description Displacement of [125I]IPT from SERT in rat brain cortex membrane | Bioorg Med Chem 16: 9050-5 (2008) Article DOI: 10.1016/j.bmc.2008.08.002 BindingDB Entry DOI: 10.7270/Q21G0M3J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Inhibition of [125I]IPT uptake at SERT (unknown origin) expressed in LLC-PK1 cell membranes | Bioorg Med Chem Lett 23: 869-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.043 BindingDB Entry DOI: 10.7270/Q2V989DM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description In vitro binding affinity of the compound against monoamine transporter NET (norepinephrine transporter) in LLC-PK1 cell membranes. | J Med Chem 42: 333-5 (1999) Article DOI: 10.1021/jm9806751 BindingDB Entry DOI: 10.7270/Q2TX3DJN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Binding affinity for Norepinephrine transporter (NET) expressed in LCK PK1 cells | J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Binding affinity for dopamine transporter expressed in LCK PK1 cells | J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50073436 ((2-(2-((dimethylamino)methyl)phenylthio)-5-iodophe...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description In vitro binding affinity of the compound against Dopamine transporter in LLC-PK1 cell membranes. | J Med Chem 42: 333-5 (1999) Article DOI: 10.1021/jm9806751 BindingDB Entry DOI: 10.7270/Q2TX3DJN | |||||||||||
More data for this Ligand-Target Pair |