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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Synaptic vesicular amine transporter' and Ligand = 'BDBM50171947'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Synaptic vesicular amine transporter


(Homo sapiens (Human))
BDBM50171947
PNG
((2R,6S)-1-Methyl-2,6-bis-(2-naphthalen-1-yl-ethyl)...)
Show SMILES CN1[C@@H](CCc2cccc3ccccc23)CCC[C@H]1CCc1cccc2ccccc12
Show InChI InChI=1S/C30H33N/c1-31-27(21-19-25-13-6-11-23-9-2-4-17-29(23)25)15-8-16-28(31)22-20-26-14-7-12-24-10-3-5-18-30(24)26/h2-7,9-14,17-18,27-28H,8,15-16,19-22H2,1H3/t27-,28+
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Article
PubMed
630n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Binding affinity to VMAT2 receptor


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
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50171947
PNG
((2R,6S)-1-Methyl-2,6-bis-(2-naphthalen-1-yl-ethyl)...)
Show SMILES CN1[C@@H](CCc2cccc3ccccc23)CCC[C@H]1CCc1cccc2ccccc12
Show InChI InChI=1S/C30H33N/c1-31-27(21-19-25-13-6-11-23-9-2-4-17-29(23)25)15-8-16-28(31)22-20-26-14-7-12-24-10-3-5-18-30(24)26/h2-7,9-14,17-18,27-28H,8,15-16,19-22H2,1H3/t27-,28+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
630n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of 5 nM [3H]DTBZ binding to Vesicular Monoamine Transporter (VAMT2) of rat vesicle membranes


J Med Chem 48: 5551-60 (2005)


Article DOI: 10.1021/jm0501228
BindingDB Entry DOI: 10.7270/Q2CN74Q9
More data for this
Ligand-Target Pair