BDBM50017701 3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-pyrido[2,1-a]isoquinolin-2-one::3-isobutyl-9,10-dimethoxy-3,4,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-2(11bH)-one::CHEMBL117785::TETRABENAZINE::Tetrabenazine (TBZ)
SMILES: COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
InChI Key: InChIKey=MKJIEFSOBYUXJB-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Synaptic vesicular amine transporter (Bos taurus) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wichita State University Curated by ChEMBL | Assay Description Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts | J Med Chem 51: 760-8 (2008) Article DOI: 10.1021/jm070875p BindingDB Entry DOI: 10.7270/Q2M909J6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT2) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 7.62 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
China Pharmaceutical University Curated by ChEMBL | Assay Description Displacement of [3H]DHTBZ from Sprague-Dawley rat striatum VMAT2 after 1 hr by liquid scintillation counting | Eur J Med Chem 46: 1841-8 (2011) Article DOI: 10.1016/j.ejmech.2011.02.046 BindingDB Entry DOI: 10.7270/Q2251JHP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT2) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky Curated by ChEMBL | Assay Description Displacement of [3H]DTBZ from VMAT2 dihydrotetrabenazine binding site in rat brain synaptic vesicle by scintillation counting | J Med Chem 52: 7878-82 (2009) Article DOI: 10.1021/jm900770h BindingDB Entry DOI: 10.7270/Q25X29V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT2) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky Curated by ChEMBL | Assay Description Displacement of [3H]MTBZ from VMAT2 in rat whole brain vesicles by liquid scintillation spectrophotometry | Bioorg Med Chem 18: 640-9 (2010) Article DOI: 10.1016/j.bmc.2009.12.002 BindingDB Entry DOI: 10.7270/Q2XS5WB2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT2) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky Curated by ChEMBL | Assay Description Inhibition of [3H]dopamine uptake at VMAT2 in rat brain synaptic vesicle by liquid scintillation spectroscopy | J Med Chem 52: 7878-82 (2009) Article DOI: 10.1021/jm900770h BindingDB Entry DOI: 10.7270/Q25X29V5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT V41F) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | >100 | n/a | n/a | n/a | 7.5 | 25 |
Hebrew University of Jerusalem | Assay Description Liposomes (1-2 ul) were added to 200 ul of reaction buffer containing 150 mM NaCl, 15 mM Tris-HCl, pH 7.5, and increasing concentrations of [3H]TBZOH... | J Biol Chem 288: 32160-71 (2013) Article DOI: 10.1074/jbc.M113.502971 BindingDB Entry DOI: 10.7270/Q20P0XVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT V41A) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 16 | n/a | n/a | n/a | 7.5 | 25 |
Hebrew University of Jerusalem | Assay Description Liposomes (1-2 ul) were added to 200 ul of reaction buffer containing 150 mM NaCl, 15 mM Tris-HCl, pH 7.5, and increasing concentrations of [3H]TBZOH... | J Biol Chem 288: 32160-71 (2013) Article DOI: 10.1074/jbc.M113.502971 BindingDB Entry DOI: 10.7270/Q20P0XVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT V41I) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 4 | n/a | n/a | n/a | 7.5 | 25 |
Hebrew University of Jerusalem | Assay Description Liposomes (1-2 ul) were added to 200 ul of reaction buffer containing 150 mM NaCl, 15 mM Tris-HCl, pH 7.5, and increasing concentrations of [3H]TBZOH... | J Biol Chem 288: 32160-71 (2013) Article DOI: 10.1074/jbc.M113.502971 BindingDB Entry DOI: 10.7270/Q20P0XVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT2 V132A) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 63.4 | n/a | n/a | n/a | 7.5 | 25 |
Hebrew University of Jerusalem | Assay Description Liposomes (1-2 ul) were added to 200 ul of reaction buffer containing 150 mM NaCl, 15 mM Tris-HCl, pH 7.5, and increasing concentrations of [3H]TBZOH... | J Biol Chem 288: 32160-71 (2013) Article DOI: 10.1074/jbc.M113.502971 BindingDB Entry DOI: 10.7270/Q20P0XVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT2 V132G) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | >100 | n/a | n/a | n/a | 7.5 | 25 |
Hebrew University of Jerusalem | Assay Description Liposomes (1-2 ul) were added to 200 ul of reaction buffer containing 150 mM NaCl, 15 mM Tris-HCl, pH 7.5, and increasing concentrations of [3H]TBZOH... | J Biol Chem 288: 32160-71 (2013) Article DOI: 10.1074/jbc.M113.502971 BindingDB Entry DOI: 10.7270/Q20P0XVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium channel protein type I I alpha subunit (Homo sapiens (Human)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea... | J Med Chem 28: 381-8 (1985) BindingDB Entry DOI: 10.7270/Q2Z321T8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT P314G) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >200 | >100 | n/a | n/a | n/a | 7.5 | 25 |
Hebrew University of Jerusalem | Assay Description Liposomes (1-2 ul) were added to 200 ul of reaction buffer containing 150 mM NaCl, 15 mM Tris-HCl, pH 7.5, and increasing concentrations of [3H]TBZOH... | J Biol Chem 288: 32160-71 (2013) Article DOI: 10.1074/jbc.M113.502971 BindingDB Entry DOI: 10.7270/Q20P0XVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT P314T) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >200 | >100 | n/a | n/a | n/a | 7.5 | 25 |
Hebrew University of Jerusalem | Assay Description Liposomes (1-2 ul) were added to 200 ul of reaction buffer containing 150 mM NaCl, 15 mM Tris-HCl, pH 7.5, and increasing concentrations of [3H]TBZOH... | J Biol Chem 288: 32160-71 (2013) Article DOI: 10.1074/jbc.M113.502971 BindingDB Entry DOI: 10.7270/Q20P0XVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT P314L) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >200 | >100 | n/a | n/a | n/a | 7.5 | 25 |
Hebrew University of Jerusalem | Assay Description Liposomes (1-2 ul) were added to 200 ul of reaction buffer containing 150 mM NaCl, 15 mM Tris-HCl, pH 7.5, and increasing concentrations of [3H]TBZOH... | J Biol Chem 288: 32160-71 (2013) Article DOI: 10.1074/jbc.M113.502971 BindingDB Entry DOI: 10.7270/Q20P0XVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT2 G308P) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 14.5 | 2 | n/a | n/a | n/a | 7.5 | 25 |
Hebrew University of Jerusalem | Assay Description Liposomes (1-2 ul) were added to 200 ul of reaction buffer containing 150 mM NaCl, 15 mM Tris-HCl, pH 7.5, and increasing concentrations of [3H]TBZOH... | J Biol Chem 288: 32160-71 (2013) Article DOI: 10.1074/jbc.M113.502971 BindingDB Entry DOI: 10.7270/Q20P0XVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT2) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 8.30 | 5.20 | n/a | n/a | n/a | 7.5 | 25 |
Hebrew University of Jerusalem | Assay Description Liposomes (1-2 ul) were added to 200 ul of reaction buffer containing 150 mM NaCl, 15 mM Tris-HCl, pH 7.5, and increasing concentrations of [3H]TBZOH... | J Biol Chem 288: 32160-71 (2013) Article DOI: 10.1074/jbc.M113.502971 BindingDB Entry DOI: 10.7270/Q20P0XVW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Vesicular monoamine transporter 2 (VMAT2 G308A) (Rattus norvegicus (Rat)) | BDBM50017701 (3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...) | GoogleScholar AffyNet | Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >200 | >100 | n/a | n/a | n/a | 7.5 | 25 |
Hebrew University of Jerusalem | Assay Description Liposomes (1-2 ul) were added to 200 ul of reaction buffer containing 150 mM NaCl, 15 mM Tris-HCl, pH 7.5, and increasing concentrations of [3H]TBZOH... | J Biol Chem 288: 32160-71 (2013) Article DOI: 10.1074/jbc.M113.502971 BindingDB Entry DOI: 10.7270/Q20P0XVW | |||||||||||
More data for this Ligand-Target Pair |