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

Data  5 KI  7 IC50  11 Kd

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50017701   

TargetSynaptic vesicular amine transporter(Bos taurus)
Wichita State University

Curated by ChEMBL
LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataKi:  4nMAssay Description:Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghostsMore data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter(Rattus norvegicus (Rat))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataKi:  7.62nMAssay Description:Displacement of [3H]DHTBZ from Sprague-Dawley rat striatum VMAT2 after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter(Rattus norvegicus (Rat))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataKi:  13nMAssay Description:Displacement of [3H]DTBZ from VMAT2 dihydrotetrabenazine binding site in rat brain synaptic vesicle by scintillation countingMore data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter(Rattus norvegicus (Rat))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataKi:  13nMAssay Description:Displacement of [3H]MTBZ from VMAT2 in rat whole brain vesicles by liquid scintillation spectrophotometryMore data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter(Rattus norvegicus (Rat))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataKi:  54nMAssay Description:Inhibition of [3H]dopamine uptake at VMAT2 in rat brain synaptic vesicle by liquid scintillation spectroscopyMore data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter [V41F](Rattus norvegicus (Rat))
Hebrew University of Jerusalem

LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataKd: >100nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter [V41A](Rattus norvegicus (Rat))
Hebrew University of Jerusalem

LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataKd:  16nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter [V41I](Rattus norvegicus (Rat))
Hebrew University of Jerusalem

LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataKd:  4nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter [V132A](Rattus norvegicus (Rat))
Hebrew University of Jerusalem

LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataKd:  63.4nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter [V132G](Rattus norvegicus (Rat))
Hebrew University of Jerusalem

LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataKd: >100nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetSodium channel protein type 1/2/3 subunit alpha(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataIC50: 8.50E+4nMAssay Description:Inhibition of binding of Batrachotoxinin [3H]BTX-B to high affinity sites on voltage dependent sodium channels in a vesicular preparation from guinea...More data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter [P314G](Rattus norvegicus (Rat))
Hebrew University of Jerusalem

LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataIC50: 200nM Kd: >100nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter [P314T](Rattus norvegicus (Rat))
Hebrew University of Jerusalem

LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataIC50: 200nM Kd: >100nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter [P314L](Rattus norvegicus (Rat))
Hebrew University of Jerusalem

LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataIC50: 200nM Kd: >100nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter [G308P](Rattus norvegicus (Rat))
Hebrew University of Jerusalem

LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataIC50: 14.5nM Kd:  2nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter(Rattus norvegicus (Rat))
China Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataIC50: 8.30nM Kd:  5.20nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair
TargetSynaptic vesicular amine transporter [G308A](Rattus norvegicus (Rat))
Hebrew University of Jerusalem

LigandPNGBDBM50017701(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
Show InChI InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3
Affinity DataIC50: 200nM Kd: >100nMpH: 7.5 T: 2°CAssay 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...More data for this Ligand-Target Pair