BDBM50342818 (3S,11BS)-TETRABENAZINE::CHEMBL519344

SMILES CC(C)C[C@H]1CN2CCc3cc(c(cc3[C@@H]2CC1=O)OC)OC

InChI Key InChIKey=MKJIEFSOBYUXJB-UHFFFAOYSA-N

Data  1 KI  2 IC50

PDB links: 3 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50342818   

TargetSynaptic vesicular amine transporter(Rat)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50342818(CHEMBL519344 | (3S,11BS)-TETRABENAZINE)
Affinity DataIC50: 70nMAssay Description:Inhibition of [3H]DTBZ binding to VMAT2 in rat brain incubated for 30 mins by liquid scintillation spectrometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSynaptic vesicular amine transporter(Rat)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50342818(CHEMBL519344 | (3S,11BS)-TETRABENAZINE)
Affinity DataIC50: 11nMAssay Description:Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptosome incubated for 10 mins followed by [3H]DA addition and measured after 20 mins by TopC...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetSynaptic vesicular amine transporter(Rat)
Yantai University

Curated by ChEMBL
LigandPNGBDBM50342818(CHEMBL519344 | (3S,11BS)-TETRABENAZINE)
Affinity DataKi:  3.64E+4nMAssay Description:Displacement of [3H]DHTBZ from Sprague-Dawley rat striatum VMAT2 after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMedPDB3D3D Structure (crystal)