BDBM50243192 3beta-(4-Methylphenyl)-2beta-[3'-(4-methoxybenzyl)isoxazol-5-tropane hydrochloride salt::CHEMBL487875
SMILES: COc1ccc(Cc2cc(on2)[C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1
InChI Key: InChIKey=YNBPFDTUMKTMGE-YDROXCIYSA-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 |
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Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50243192 (3beta-(4-Methylphenyl)-2beta-[3'-(4-methoxybenzyl)...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 41.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Displacement of [3H]paroxetine from 5HTT | Bioorg Med Chem 16: 6682-8 (2008) Article DOI: 10.1016/j.bmc.2008.05.073 BindingDB Entry DOI: 10.7270/Q2NK3FX0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent noradrenaline transporter (Homo sapiens (Human)) | BDBM50243192 (3beta-(4-Methylphenyl)-2beta-[3'-(4-methoxybenzyl)...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 357 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Displacement of [3H]nisoxetine from NET | Bioorg Med Chem 16: 6682-8 (2008) Article DOI: 10.1016/j.bmc.2008.05.073 BindingDB Entry DOI: 10.7270/Q2NK3FX0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent dopamine transporter (Homo sapiens (Human)) | BDBM50243192 (3beta-(4-Methylphenyl)-2beta-[3'-(4-methoxybenzyl)...) | NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Research Triangle Institute Curated by ChEMBL | Assay Description Displacement of [3H]WIN-35428 from DAT | Bioorg Med Chem 16: 6682-8 (2008) Article DOI: 10.1016/j.bmc.2008.05.073 BindingDB Entry DOI: 10.7270/Q2NK3FX0 | |||||||||||
More data for this Ligand-Target Pair |