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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Vesicular acetylcholine transporter' and Ligand = 'BDBM50095010'   
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
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50095010
PNG
(CHEMBL264437)
Show SMILES O[C@@H]1CC=CC[C@H]1N1CCC(CC1)c1ccccc1 |c:3|
Show InChI InChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-7,15-17,19H,8-13H2/t16-,17-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.340n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from VAChT in Torpedo californica electric organ synaptic vesicles


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Rattus norvegicus)
BDBM50095010
PNG
(CHEMBL264437)
Show SMILES O[C@@H]1CC=CC[C@H]1N1CCC(CC1)c1ccccc1 |c:3|
Show InChI InChI=1S/C17H23NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-7,15-17,19H,8-13H2/t16-,17-/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Institute of Radiopharmaceutical Cancer Research

Curated by ChEMBL


Assay Description
Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competit...


Eur J Med Chem 100: 50-67 (2015)


Article DOI: 10.1016/j.ejmech.2015.05.033
BindingDB Entry DOI: 10.7270/Q28C9XZ1
More data for this
Ligand-Target Pair