Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(R)-1-(4,4-bis(3-methylthiophen-2-yl)but-3-enyl)piperidine-3-carboxylic acid hydrochloride
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 PubChem ID
CID: 60648
SID: 14804309
Canonical SMILES
Cc1ccsc1C(=CCCN1CCC[C@H](C1)C(O)=O)c1sccc1C
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Compound Formula C20H25NO2S2
Compound Structure
Protein Name
 Protein Info 
Sodium- and chloride-dependent GABA transporter 1
Protein Classification
Transporter
>
Electrochemical transporter
>
SLC superfamily of solute carriers
>
SLC06 neurotransmitter transporter family
Uniprot ID
P30531
Gene Name
SLC6A1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000880 COS
 Cell Line Info 
Chlorocebus aethiops (Green monkey)  5
1
IC50 = 154.88 nM
   TI
   LI
   LO
   TS
2
Kd = 40.5 nM
   TI
   LI
   LO
   TS
3
Kd = 146.8 nM
   TI
   LI
   LO
   TS
4
Km = 19700 nM
   TI
   LI
   LO
   TS
5
Km = 29400 nM
   TI
   LI
   LO
   TS
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  3
1
IC50 = 380.19 nM
   TI
   LI
   LO
   TS
2
Ki = 16.98 nM
   TI
   LI
   LO
   TS
3
Ki = 47.86 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 70 nM
2 IC50 = 280 nM