BDBM50228436 2-(2-((dimethylamino)methyl)-4-(3-fluoropropoxy)phenylthio)-5-fluorobenzenamine::CHEMBL239301
SMILES: CN(C)Cc1cc(OCCCF)ccc1Sc1ccc(F)cc1N
InChI Key: InChIKey=HFHWEFNEZUUCLY-UHFFFAOYSA-N
Data: 3 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)) | BDBM50228436 (2-(2-((dimethylamino)methyl)-4-(3-fluoropropoxy)ph...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.950 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [125I]5-iodo-2-[[2,2-[(dimethylamino)methyl]phenyl]thio]benzyl alcohol from SERT expressed in LLCPK1 cells | J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50228436 (2-(2-((dimethylamino)methyl)-4-(3-fluoropropoxy)ph...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 95 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Displacement of [125I]-iodonisoxetine from NET expressed in LLCPK1 cells | J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50228436 (2-(2-((dimethylamino)methyl)-4-(3-fluoropropoxy)ph...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem 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 Displacement of [125I]N-(3'-iodopropen-2'yl)-2-beta-carbomethoxy-3-beta-(4-chlorophenyl)tropane from DAT expressed in LLCPK1 cells | J Med Chem 50: 6673-84 (2007) Article DOI: 10.1021/jm070685e BindingDB Entry DOI: 10.7270/Q22B8XRR | |||||||||||
More data for this Ligand-Target Pair |