BDBM50014240 6-(2-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydro-pyrrolo[2,1-a]isoquinoline::CHEMBL94665
SMILES: CSc1ccccc1C1CN2CCCC2c2ccccc12
InChI Key: InChIKey=UJOZKCHRUXUTNB-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Norepinephrine transporter (MOUSE) | BDBM50014240 (6-(2-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McNeil Pharmaceutical Curated by ChEMBL | Assay Description Tested in vitro for norepinephrine (NE) neuronal uptake inhibition | J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SLC6A3 (MOUSE) | BDBM50014240 (6-(2-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McNeil Pharmaceutical Curated by ChEMBL | Assay Description Tested in vitro for serotonin(5-HT) neuronal uptake inhibition | J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dopamine transporter (MOUSE) | BDBM50014240 (6-(2-Methylsulfanyl-phenyl)-1,2,3,5,6,10b-hexahydr...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 187 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
McNeil Pharmaceutical Curated by ChEMBL | Assay Description Tested in vitro for dopamine(DA) neuronal uptake inhibition | J Med Chem 33: 2793-7 (1990) BindingDB Entry DOI: 10.7270/Q27S7PB4 | |||||||||||
More data for this Ligand-Target Pair |