BDBM50324228 CHEMBL1215695::rac-3-(5-Bromo-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine
SMILES: CN(C)CCCC1(OCc2cc(Br)ccc12)c1ccc(F)cc1
InChI Key: InChIKey=WOLPGGGWZDXCNM-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50324228 (CHEMBL1215695 | rac-3-(5-Bromo-1-(4-fluorophenyl)-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.04 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H]citalopram from SERT in rat brain stem by scintillation counting | J Med Chem 53: 6112-21 (2010) Article DOI: 10.1021/jm1005034 BindingDB Entry DOI: 10.7270/Q22J6C2G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Transporter (Rattus norvegicus (rat)) | BDBM50324228 (CHEMBL1215695 | rac-3-(5-Bromo-1-(4-fluorophenyl)-...) | Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.84E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Displacement of [3H]nisoxetine from NET in rat frontal cortex by scintillation counting | J Med Chem 53: 6112-21 (2010) Article DOI: 10.1021/jm1005034 BindingDB Entry DOI: 10.7270/Q22J6C2G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50324228 (CHEMBL1215695 | rac-3-(5-Bromo-1-(4-fluorophenyl)-...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse-Intramural Research Program Curated by ChEMBL | Assay Description Inhibition of SERT (unknown origin) assessed as inhibition of serotonin uptake | J Med Chem 56: 9709-24 (2013) Article DOI: 10.1021/jm4014136 BindingDB Entry DOI: 10.7270/Q2N58Q90 | |||||||||||
More data for this Ligand-Target Pair |