BDBM50118604 1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluorophenyl)methoxy)ethyl)piperidine::1-Benzo[b]thiophen-2-ylmethyl-4-{2-[bis-(4-fluoro-phenyl)-methoxy]-ethyl}-piperidine::CHEMBL137020
SMILES: Fc1ccc(cc1)C(OCCC1CCN(Cc2cc3ccccc3s2)CC1)c1ccc(F)cc1
InChI Key: InChIKey=IBKOZXQELVZJBY-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 |
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Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50118604 (1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.61 | 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 | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50118604 (1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.61 | 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) by using [125I]-RTI-55 radioligand | J Med Chem 45: 4371-4 (2002) BindingDB Entry DOI: 10.7270/Q2RF5TCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50118604 (1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 246 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Binding affinity for serotonin transporter (SERT) using [125I]-RTI-55 | J Med Chem 45: 4371-4 (2002) BindingDB Entry DOI: 10.7270/Q2RF5TCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50118604 (1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 246 | 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 dopamine transporter (Homo sapiens (Human)) | BDBM50118604 (1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 11.9 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Compound was tested for the inhibition of dopamine (DA) reuptake | J Med Chem 45: 4371-4 (2002) BindingDB Entry DOI: 10.7270/Q2RF5TCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50118604 (1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Compound was tested for the inhibition of serotonin (5-HT) reuptake | J Med Chem 45: 4371-4 (2002) BindingDB Entry DOI: 10.7270/Q2RF5TCP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50118604 (1-(benzo[b]thiophen-2-ylmethyl)-4-(2-(bis(4-fluoro...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
NIDDK Curated by ChEMBL | Assay Description Compound was tested for the inhibition of norepinephrine (NE) reuptake | J Med Chem 45: 4371-4 (2002) BindingDB Entry DOI: 10.7270/Q2RF5TCP | |||||||||||
More data for this Ligand-Target Pair |