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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 = 'BDBM50368836'   
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)
BDBM50368836
PNG
(CHEMBL1203885)
Show SMILES O[C@@H]1CCN(C[C@H]1N1CCC(CC1)c1ccccc1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H28N2O2/c26-22-13-16-25(23(27)20-9-5-2-6-10-20)17-21(22)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21-22,26H,11-17H2/t21-,22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 34n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]- vesamicol binding to synaptic vesicles preparation from the electric organ of Torpedo californica


J Med Chem 36: 985-9 (1993)


BindingDB Entry DOI: 10.7270/Q2R49RDQ
More data for this
Ligand-Target Pair
Vesicular acetylcholine transporter


(Torpedo californica)
BDBM50368836
PNG
(CHEMBL1203885)
Show SMILES O[C@@H]1CCN(C[C@H]1N1CCC(CC1)c1ccccc1)C(=O)c1ccccc1 |r|
Show InChI InChI=1S/C23H28N2O2/c26-22-13-16-25(23(27)20-9-5-2-6-10-20)17-21(22)24-14-11-19(12-15-24)18-7-3-1-4-8-18/h1-10,19,21-22,26H,11-17H2/t21-,22-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 34n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of [3H]- vesamicol binding to synaptic vesicles preparation from the electric organ of Torpedo californica


J Med Chem 36: 985-9 (1993)


BindingDB Entry DOI: 10.7270/Q2R49RDQ
More data for this
Ligand-Target Pair