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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Synaptic vesicular amine transporter' and Ligand = 'BDBM50172086'   
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))
BDBM50172086
PNG
((2S,4R)-2,4-Dibenzyl-8-methyl-8-aza-bicyclo[3.2.1]...)
Show SMILES CN1C2CCC1[C@@H](Cc1ccccc1)C(=O)[C@H]2Cc1ccccc1 |THB:17:16:1:3.4,7:6:1:3.4|
Show InChI InChI=1S/C22H25NO/c1-23-20-12-13-21(23)19(15-17-10-6-3-7-11-17)22(24)18(20)14-16-8-4-2-5-9-16/h2-11,18-21H,12-15H2,1H3/t18-,19+,20?,21?
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition constant against [3H]-methyllycaconitine binding to vesicular monoamine transporter-2 of rat brain membranes


Bioorg Med Chem Lett 15: 4463-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.032
BindingDB Entry DOI: 10.7270/Q2J38S3H
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50172086
PNG
((2S,4R)-2,4-Dibenzyl-8-methyl-8-aza-bicyclo[3.2.1]...)
Show SMILES CN1C2CCC1[C@@H](Cc1ccccc1)C(=O)[C@H]2Cc1ccccc1 |THB:17:16:1:3.4,7:6:1:3.4|
Show InChI InChI=1S/C22H25NO/c1-23-20-12-13-21(23)19(15-17-10-6-3-7-11-17)22(24)18(20)14-16-8-4-2-5-9-16/h2-11,18-21H,12-15H2,1H3/t18-,19+,20?,21?
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition constant against [3H]-dihydrotetrabenazine binding to vesicular monoamine transporter-2 of rat synaptic vesicle membranes


Bioorg Med Chem Lett 15: 4463-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.032
BindingDB Entry DOI: 10.7270/Q2J38S3H
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))
BDBM50172086
PNG
((2S,4R)-2,4-Dibenzyl-8-methyl-8-aza-bicyclo[3.2.1]...)
Show SMILES CN1C2CCC1[C@@H](Cc1ccccc1)C(=O)[C@H]2Cc1ccccc1 |THB:17:16:1:3.4,7:6:1:3.4|
Show InChI InChI=1S/C22H25NO/c1-23-20-12-13-21(23)19(15-17-10-6-3-7-11-17)22(24)18(20)14-16-8-4-2-5-9-16/h2-11,18-21H,12-15H2,1H3/t18-,19+,20?,21?
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



University of Kentucky

Curated by ChEMBL


Assay Description
Inhibition constant against [3H]-nicotine binding to vesicular monoamine transporter-2 of rat brain membranes


Bioorg Med Chem Lett 15: 4463-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.032
BindingDB Entry DOI: 10.7270/Q2J38S3H
More data for this
Ligand-Target Pair