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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 = 'BDBM50175859'   
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))
BDBM50175859
PNG
(CHEMBL3809825)
Show SMILES Cl.COc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28FNO.ClH/c1-25-22-5-3-2-4-20(22)9-6-19-13-16-24(17-14-19)15-12-18-7-10-21(23)11-8-18;/h2-5,7-8,10-11,19H,6,9,12-17H2,1H3;1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
13n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50175859
PNG
(CHEMBL3809825)
Show SMILES Cl.COc1ccccc1CCC1CCN(CCc2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H28FNO.ClH/c1-25-22-5-3-2-4-20(22)9-6-19-13-16-24(17-14-19)15-12-18-7-10-21(23)11-8-18;/h2-5,7-8,10-11,19H,6,9,12-17H2,1H3;1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
400n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 26: 2997-3000 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.025
BindingDB Entry DOI: 10.7270/Q2MC91ZC
More data for this
Ligand-Target Pair