BDBM50118605 4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-thiophen-2-yl-allyl)-piperidine::CHEMBL343534
SMILES: Fc1ccc(cc1)C(OCCC1CCN(C\C=C\c2cccs2)CC1)c1ccc(F)cc1
InChI Key: InChIKey=REFWYZSDWMHZTK-HNQUOIGGSA-N
Data: 2 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 dopamine transporter (Homo sapiens (Human)) | BDBM50118605 (4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-t...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30 | 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)) | BDBM50118605 (4-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-1-(3-t...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 45 | 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 |