BDBM50324233 3-(5-(3'-Cyano-phenyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-N,N-dimethylpropan-1-amine::CHEMBL1215763
SMILES: CN(C)CCCC1(OCc2cc(ccc12)-c1cccc(c1)C#N)c1ccc(F)cc1
InChI Key: InChIKey=MUNUEDYKNGNTCT-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 (Rattus norvegicus (rat)) | BDBM50324233 (3-(5-(3'-Cyano-phenyl)-1-(4-fluorophenyl)-1,3-dihy...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.70 | 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 | |||||||||||||
Sodium-dependent dopamine transporter (Rattus norvegicus (rat)) | BDBM50324233 (3-(5-(3'-Cyano-phenyl)-1-(4-fluorophenyl)-1,3-dihy...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 737 | 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]WIN-35428 from DAT in rat caudate-putamen 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)) | BDBM50324233 (3-(5-(3'-Cyano-phenyl)-1-(4-fluorophenyl)-1,3-dihy...) | Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.98E+3 | 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 |