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BDBM50309680 (2S,6S,2R)-2-[6-(2-(2-Thiophene)-sulfonyloxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone hydrochloride::CHEMBL605748

SMILES: CN1[C@H](C[C@H](OS(=O)(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1

InChI Key: InChIKey=SSRKNCDKTZOVPB-SFMOTKOWNA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50309680   
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
Vesicular monoamine transporter 2 (VMAT2)


(Rattus norvegicus (Rat))
BDBM50309680
PNG
((2S,6S,2R)-2-[6-(2-(2-Thiophene)-sulfonyloxy-2-phe...)
Show SMILES CN1[C@H](C[C@H](OS(=O)(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
Show InChI InChI=1/C26H29NO4S2/c1-27-22(18-24(28)20-10-4-2-5-11-20)14-8-15-23(27)19-25(21-12-6-3-7-13-21)31-33(29,30)26-16-9-17-32-26/h2-7,9-13,16-17,22-23,25H,8,14-15,18-19H2,1H3/t22-,23+,25+/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.23E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3HDTBZ from VMAT2 in rat whole brain vesicles by liquid scintillation spectrophotometry


Bioorg Med Chem 18: 640-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.002
BindingDB Entry DOI: 10.7270/Q2XS5WB2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepinephrine & serotonin


(Rattus norvegicus (rat))
BDBM50309680
PNG
((2S,6S,2R)-2-[6-(2-(2-Thiophene)-sulfonyloxy-2-phe...)
Show SMILES CN1[C@H](C[C@H](OS(=O)(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
Show InChI InChI=1/C26H29NO4S2/c1-27-22(18-24(28)20-10-4-2-5-11-20)14-8-15-23(27)19-25(21-12-6-3-7-13-21)31-33(29,30)26-16-9-17-32-26/h2-7,9-13,16-17,22-23,25H,8,14-15,18-19H2,1H3/t22-,23+,25+/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.81E+4n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at SERT in rat brain hippocampal synaptosomes by liquid scintillation spectrophotometry


Bioorg Med Chem 18: 640-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.002
BindingDB Entry DOI: 10.7270/Q2XS5WB2
More data for this
Ligand-Target Pair
Monoamine transporters; Norepininephrine & dopamine


(Rattus norvegicus (rat))
BDBM50309680
PNG
((2S,6S,2R)-2-[6-(2-(2-Thiophene)-sulfonyloxy-2-phe...)
Show SMILES CN1[C@H](C[C@H](OS(=O)(=O)c2cccs2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
Show InChI InChI=1/C26H29NO4S2/c1-27-22(18-24(28)20-10-4-2-5-11-20)14-8-15-23(27)19-25(21-12-6-3-7-13-21)31-33(29,30)26-16-9-17-32-26/h2-7,9-13,16-17,22-23,25H,8,14-15,18-19H2,1H3/t22-,23+,25+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.99E+4n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at DAT in rat brain striatal synaptosomes by liquid scintillation spectrophotometry


Bioorg Med Chem 18: 640-9 (2010)


Article DOI: 10.1016/j.bmc.2009.12.002
BindingDB Entry DOI: 10.7270/Q2XS5WB2
More data for this
Ligand-Target Pair