BDBM50307458 (1S,2R)-1-(3,5-Difluorophenyl)-1-(3,3-dimethyl-2,3-dihydro-1H-indol-1-yl)-3-(methylamino)propan-2-ol Hydrochloride::CHEMBL600424
SMILES: CNC[C@@H](O)[C@@H](N1CC(C)(C)c2ccccc12)c1cc(F)cc(F)c1
InChI Key: InChIKey=ZPSLQWUVWPXONV-MOPGFXCFSA-N
Data: 3 IC50
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 noradrenaline transporter (Homo sapiens (Human)) | BDBM50307458 ((1S,2R)-1-(3,5-Difluorophenyl)-1-(3,3-dimethyl-2,3...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells | J Med Chem 53: 2051-62 (2010) Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50307458 ((1S,2R)-1-(3,5-Difluorophenyl)-1-(3,3-dimethyl-2,3...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of serotonin uptake at human SERT expressed in human JAR cells | J Med Chem 53: 2051-62 (2010) Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50307458 ((1S,2R)-1-(3,5-Difluorophenyl)-1-(3,3-dimethyl-2,3...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research Curated by ChEMBL | Assay Description Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells | J Med Chem 53: 2051-62 (2010) Article DOI: 10.1021/jm901559e BindingDB Entry DOI: 10.7270/Q21J99VS | |||||||||||
More data for this Ligand-Target Pair |