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SMILES: C[N+](C)(C)CCSS(C)(=O)=O

InChI Key: InChIKey=VRGHSYHERKHVHD-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50476262   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50476262
PNG
(CHEMBL224476)
Show SMILES C[N+](C)(C)CCSS(C)(=O)=O
Show InChI InChI=1S/C6H16NO2S2/c1-7(2,3)5-6-10-11(4,8)9/h5-6H2,1-4H3/q+1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 2.00E+12n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Decrease in [3H]5-HT uptake at human SERT W103C mutant transfected in HEK293 cells


Bioorg Med Chem 15: 305-11 (2007)


Article DOI: 10.1016/j.bmc.2006.09.058
BindingDB Entry DOI: 10.7270/Q2DV1NNQ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50476262
PNG
(CHEMBL224476)
Show SMILES C[N+](C)(C)CCSS(C)(=O)=O
Show InChI InChI=1S/C6H16NO2S2/c1-7(2,3)5-6-10-11(4,8)9/h5-6H2,1-4H3/q+1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.16E+3n/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Decrease in [3H]5-HT uptake at human SERT G498C mutant transfected in HEK293 cells


Bioorg Med Chem 15: 305-11 (2007)


Article DOI: 10.1016/j.bmc.2006.09.058
BindingDB Entry DOI: 10.7270/Q2DV1NNQ
More data for this
Ligand-Target Pair