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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 = 'BDBM50534739'   
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


(Rattus norvegicus (Rat))
BDBM50534739
PNG
(CHEMBL4444122)
Show SMILES Cl.Cl.Clc1ccccc1CCN1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)11-13-23-16-14-22(15-17-23)12-10-18-6-2-1-3-7-18/h1-9H,10-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
63n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2 in rat striatal homogenate assessed as reduction in [3H]DA uptake after 8 mins by liquid scintillation spectrometric analysis


Bioorg Med Chem Lett 26: 4441-4445 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.001
BindingDB Entry DOI: 10.7270/Q2Q81HK3
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50534739
PNG
(CHEMBL4444122)
Show SMILES Cl.Cl.Clc1ccccc1CCN1CCN(CCc2ccccc2)CC1
Show InChI InChI=1S/C20H25ClN2/c21-20-9-5-4-8-19(20)11-13-23-16-14-22(15-17-23)12-10-18-6-2-1-3-7-18/h1-9H,10-17H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.59E+3n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DTBZ binding to VMAT2 in rat whole brain homogenate (excluding cerebellum) after 30 mins by liquid scintillation spectrometric anal...


Bioorg Med Chem Lett 26: 4441-4445 (2016)


Article DOI: 10.1016/j.bmcl.2016.08.001
BindingDB Entry DOI: 10.7270/Q2Q81HK3
More data for this
Ligand-Target Pair