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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Synaptic vesicular amine transporter' and Ligand = 'BDBM50157071'   
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))
BDBM50157071
PNG
(CHEMBL3793895)
Show SMILES Cl.CC(=O)Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OC(C)=O)cc3)N2)cc1 |r|
Show InChI InChI=1S/C25H31NO4.ClH/c1-18(27)29-24-14-8-20(9-15-24)6-12-22-4-3-5-23(26-22)13-7-21-10-16-25(17-11-21)30-19(2)28;/h8-11,14-17,22-23,26H,3-7,12-13H2,1-2H3;1H/t22-,23+;
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
220n/an/an/an/an/an/an/an/a



University of Arkansas for Medical Sciences

Curated by ChEMBL


Assay Description
Inhibition of VMAT2 in rat striatal synaptic vesicle assessed as reduction of [3H]dopamine uptake after 8 mins by liquid scintillation spectrometric ...


Bioorg Med Chem Lett 26: 2422-7 (2016)


Article DOI: 10.1016/j.bmcl.2016.03.119
BindingDB Entry DOI: 10.7270/Q2BC41DT
More data for this
Ligand-Target Pair