BDBM50080337 (R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinyloxy]-ethyl}-piperidine-3-carboxylic acid; hydrochloride::CHEMBL554210
SMILES: [#6]-c1ccsc1\[#6](=[#6]/[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]
InChI Key: InChIKey=LDRYKGXVXNQQTQ-MRXNPFEDSA-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- and chloride-dependent GABA transporter 1 (Rattus norvegicus) | BDBM50080337![]() ((R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinylox...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S Curated by ChEMBL | Assay Description In vitro inhibition of [3H]GABA uptake at the Sodium- and chloride-dependent GABA transporter 1 (GAT-1) uptake site in rat brain synaptosomes | J Med Chem 42: 3447-62 (1999) Article DOI: 10.1021/jm981027k BindingDB Entry DOI: 10.7270/Q2057GMV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus) | BDBM50080337![]() ((R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinylox...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University Munich Curated by ChEMBL | Assay Description Inhibition of mouse GAT1 expressed in HEK cells assessed as inhibition of [3H]-GABA uptake after 25 mins by liquid scintillation counting analysis | Bioorg Med Chem 21: 3363-78 (2013) Article DOI: 10.1016/j.bmc.2013.02.056 BindingDB Entry DOI: 10.7270/Q23N269C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus) | BDBM50080337![]() ((R)-1-{2-[2,2-Bis-(3-methyl-thiophen-2-yl)-vinylox...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna Curated by ChEMBL | Assay Description Inhibition of rat brain synaptosomes GAT1 assessed as inhibition of [3H]GABA uptake by liquid scintillation counting | J Med Chem 58: 2149-58 (2015) Article DOI: 10.1021/jm5015428 BindingDB Entry DOI: 10.7270/Q2D50PNV | |||||||||||
More data for this Ligand-Target Pair |