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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 = 'BDBM50320380'   
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))
BDBM50320380
PNG
(CHEMBL1083434 | cis-4,4'-(2,2'-(-1-methylpiperidin...)
Show SMILES CN1[C@@H](CCc2ccnc3ccccc23)CCC[C@H]1CCc1ccnc2ccccc12 |r|
Show InChI InChI=1S/C28H31N3/c1-31-23(15-13-21-17-19-29-27-11-4-2-9-25(21)27)7-6-8-24(31)16-14-22-18-20-30-28-12-5-3-10-26(22)28/h2-5,9-12,17-20,23-24H,6-8,13-16H2,1H3/t23-,24+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
51n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition of VMAT2-mediated [3H]dopamine uptake in rat synaptic vesicle membranes


Bioorg Med Chem Lett 20: 3584-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.117
BindingDB Entry DOI: 10.7270/Q2N879Z6
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50320380
PNG
(CHEMBL1083434 | cis-4,4'-(2,2'-(-1-methylpiperidin...)
Show SMILES CN1[C@@H](CCc2ccnc3ccccc23)CCC[C@H]1CCc1ccnc2ccccc12 |r|
Show InChI InChI=1S/C28H31N3/c1-31-23(15-13-21-17-19-29-27-11-4-2-9-25(21)27)7-6-8-24(31)16-14-22-18-20-30-28-12-5-3-10-26(22)28/h2-5,9-12,17-20,23-24H,6-8,13-16H2,1H3/t23-,24+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.64E+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 synaptic vesicle membranes after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 3584-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.117
BindingDB Entry DOI: 10.7270/Q2N879Z6
More data for this
Ligand-Target Pair