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BDBM50309687 (2S,6S,2R)-2-[6-(2-Benzoyloxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone hydrochloride::CHEMBL599693

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

InChI Key: InChIKey=UHWKQTIBICJKFH-QHZVBWFONA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50309687   
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))
BDBM50309687
PNG
((2S,6S,2R)-2-[6-(2-Benzoyloxy-2-phenylethyl)-1-met...)
Show SMILES CN1[C@H](C[C@H](OC(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
Show InChI InChI=1/C29H31NO3/c1-30-25(20-27(31)22-12-5-2-6-13-22)18-11-19-26(30)21-28(23-14-7-3-8-15-23)33-29(32)24-16-9-4-10-17-24/h2-10,12-17,25-26,28H,11,18-21H2,1H3/t25-,26+,28+/s2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.53E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]MTBZ 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))
BDBM50309687
PNG
((2S,6S,2R)-2-[6-(2-Benzoyloxy-2-phenylethyl)-1-met...)
Show SMILES CN1[C@H](C[C@H](OC(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
Show InChI InChI=1/C29H31NO3/c1-30-25(20-27(31)22-12-5-2-6-13-22)18-11-19-26(30)21-28(23-14-7-3-8-15-23)33-29(32)24-16-9-4-10-17-24/h2-10,12-17,25-26,28H,11,18-21H2,1H3/t25-,26+,28+/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.07E+3n/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))
BDBM50309687
PNG
((2S,6S,2R)-2-[6-(2-Benzoyloxy-2-phenylethyl)-1-met...)
Show SMILES CN1[C@H](C[C@H](OC(=O)c2ccccc2)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
Show InChI InChI=1/C29H31NO3/c1-30-25(20-27(31)22-12-5-2-6-13-22)18-11-19-26(30)21-28(23-14-7-3-8-15-23)33-29(32)24-16-9-4-10-17-24/h2-10,12-17,25-26,28H,11,18-21H2,1H3/t25-,26+,28+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.31E+3n/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