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BDBM50020891 (R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid::1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carboxylic acid::CHEMBL77626
SMILES: [#8]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]\[#6]=[#6](/c2ccccc2)-c2ccccc2)-[#6]-1
InChI Key: InChIKey=TXQKSMSLZVKQBI-HXUWFJFHSA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| GABA transporter 1 (Homo sapiens (Human)) | BDBM50020891 ((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet  | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 72.4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Curated by ChEMBL | Assay Description Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay | Bioorg Med Chem Lett 21: 602-5 (2010) Article DOI: 10.1016/j.bmcl.2010.09.025 BindingDB Entry DOI: 10.7270/Q2T153W6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA transporter (Rattus norvegicus) | BDBM50020891 ((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 5.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Inhibitory activity against rat GABA transporter-2 (rGAT2) | J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Sodium- and chloride-dependent GABA transporter 1 (Rattus norvegicus) | BDBM50020891 ((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 692 | 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 | |||||||||||||
| Betaine transporter (Homo sapiens (Human)) | BDBM50020891 ((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...) | Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.21E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Inhibition of human GABA transporter (hBGT-1) activity. | J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA transporter (Mus musculus) | BDBM50020891 ((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.95E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University Munich Curated by ChEMBL | Assay Description Inhibition of mouse GAT3 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 | |||||||||||||
| GABA transporter (Mus musculus) | BDBM50020891 ((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.72E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Ludwig-Maximilians-University Munich Curated by ChEMBL | Assay Description Inhibition of mouse GAT2 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 | |||||||||||||
| GABA transporter 3 (Homo sapiens (Human)) | BDBM50020891 ((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.99E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Inhibitory activity against human sodium and chloride dependent GABA transporter 3 | J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| GABA transporter 1 (Homo sapiens (Human)) | BDBM50020891 ((R)-1-(4,4-Diphenyl-but-3-enyl)-piperidine-3-carbo...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description Inhibitory activity against human GABA transporter-1 (hGAT1) | J Med Chem 37: 2334-42 (1994) BindingDB Entry DOI: 10.7270/Q2P849XX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
