BDBM50039251 (R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid hydrochloride::(R)-1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid::(R)-1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid; hydrochloride::(S)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid::1-[4,4-Bis-(3-methyl-4,5-dihydro-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid::1-[4,4-Bis-(3-methyl-thiophen-2-yl)-but-3-enyl]-piperidine-3-carboxylic acid; hydrochloride::A-70569-1::ABBOTT-70569::ABBOTT-70569-1::ABT-569::CHEMBL1027::Gabitril::NNC-05-0328::NO-05-0328::TIAGABINE::Tiagabine hydrochloride

SMILES [#6]-c1ccsc1\[#6](=[#6]/[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#6@H](-[#6]-1)-[#6](-[#8])=O)-c1sccc1-[#6]

InChI Key InChIKey=PBJUNZJWGZTSKL-MRXNPFEDSA-N

Data  12 KI  49 IC50  2 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50039251   

TargetSodium- and chloride-dependent GABA transporter 1(Homo sapiens (Human))
Fudan University

Curated by ChEMBL
LigandPNGBDBM50039251((R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)pi...)
Affinity DataIC50:  280nMAssay Description:Inhibition of GAT1 transport activityMore data for this Ligand-Target Pair