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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 = 'BDBM50175676'   
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))
BDBM50175676
PNG
(CHEMBL3810120)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-11-10-21(18-23(22)26-2)14-17-24-15-12-20(13-16-24)9-8-19-6-4-3-5-7-19;/h3-7,10-11,18,20H,8-9,12-17H2,1-2H3;1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
56n/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))
BDBM50175676
PNG
(CHEMBL3810120)
Show SMILES Cl.COc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1OC
Show InChI InChI=1S/C23H31NO2.ClH/c1-25-22-11-10-21(18-23(22)26-2)14-17-24-15-12-20(13-16-24)9-8-19-6-4-3-5-7-19;/h3-7,10-11,18,20H,8-9,12-17H2,1-2H3;1H
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80E+3n/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