BDBM50083200 1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-[(E)-3-(4-methoxy-phenyl)-allyl]-piperazine::1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-[3-(4-methoxy-phenyl)-allyl]-piperazine::CHEMBL43124
SMILES: COc1ccc(\C=C\CN2CCN(CCOC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1
InChI Key: InChIKey=SUPURMVBOPJGOE-NSCUHMNNSA-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 dopamine transporter (Rattus norvegicus (rat)) | BDBM50083200 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-[(E)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 15.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity against dopamine transporter labelled with [125I]- RTI-55 in rat. | J Med Chem 42: 5029-42 (2000) BindingDB Entry DOI: 10.7270/Q2R49PZ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50083200 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-[(E)...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Binding affinity against Serotonin transporter (SERT) labelled with [125I]-RTI-55 in rat. | J Med Chem 42: 5029-42 (2000) BindingDB Entry DOI: 10.7270/Q2R49PZ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50083200 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-[(E)...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia Curated by ChEMBL | Assay Description Inhibition of radioligand [125I]RTI-55 binding to human Dopamine transporter in clonal cells | J Med Chem 45: 1577-84 (2002) Article DOI: 10.1021/jm011007+ BindingDB Entry DOI: 10.7270/Q29026JT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50083200 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-[(E)...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 372 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Perugia Curated by ChEMBL | Assay Description Inhibition of [125I]RTI-55 binding to human SERT in clonal cells | J Med Chem 45: 1577-84 (2002) Article DOI: 10.1021/jm011007+ BindingDB Entry DOI: 10.7270/Q29026JT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50083200 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-[(E)...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 392 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Reuptake inhibition of [3H]-5-HT (5-HT) in rat. | J Med Chem 42: 5029-42 (2000) BindingDB Entry DOI: 10.7270/Q2R49PZ2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50083200 (1-{2-[Bis-(4-fluoro-phenyl)-methoxy]-ethyl}-4-[(E)...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.80 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Diabetes and Digestive and Kidney Diseases Curated by ChEMBL | Assay Description Reuptake inhibition of [3H]-labeled dopamine (DA) in rat. | J Med Chem 42: 5029-42 (2000) BindingDB Entry DOI: 10.7270/Q2R49PZ2 | |||||||||||
More data for this Ligand-Target Pair |