BindingDB logo
myBDB logout

PubMed code 19632829

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
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


(Homo sapiens (Human))		BDBM50301022
PNG
((+)-9-fluoropropyl-dihydrotetrabenazine | CHEMBL57...)
Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCc2cc1OCCCF |r|
Show InChI InChI=1S/C21H32FNO3/c1-14(2)9-16-13-23-7-5-15-10-21(26-8-4-6-22)20(25-3)11-17(15)18(23)12-19(16)24/h10-11,14,16,18-19,24H,4-9,12-13H2,1-3H3/t16-,18-,19-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 0.100n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Binding affinity to VMAT2

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301022
PNG
((+)-9-fluoropropyl-dihydrotetrabenazine | CHEMBL57...)
Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCc2cc1OCCCF |r|
Show InChI InChI=1S/C21H32FNO3/c1-14(2)9-16-13-23-7-5-15-10-21(26-8-4-6-22)20(25-3)11-17(15)18(23)12-19(16)24/h10-11,14,16,18-19,24H,4-9,12-13H2,1-3H3/t16-,18-,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 0.240n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301022
PNG
((+)-9-fluoropropyl-dihydrotetrabenazine | CHEMBL57...)
Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)C)CN3CCc2cc1OCCCF |r|
Show InChI InChI=1S/C21H32FNO3/c1-14(2)9-16-13-23-7-5-15-10-21(26-8-4-6-22)20(25-3)11-17(15)18(23)12-19(16)24/h10-11,14,16,18-19,24H,4-9,12-13H2,1-3H3/t16-,18-,19-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 0.360n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301021
PNG
((+)-dihydrotetrabenzaine | CHEMBL576222 | US110532...)
Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3c2cc1OC |r|
Show InChI InChI=1S/C19H29NO3/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/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 2.45n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301021
PNG
((+)-dihydrotetrabenzaine | CHEMBL576222 | US110532...)
Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@H](O)C[C@@H]3c2cc1OC |r|
Show InChI InChI=1S/C19H29NO3/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/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 3.75n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301025
PNG
(CHEMBL569074 | N-(3-fluoropropyl)-3-isobutyl-9,10-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(CC3c2cc1OC)NCCCF
Show InChI InChI=1S/C22H35FN2O2/c1-15(2)10-17-14-25-9-6-16-11-21(26-3)22(27-4)12-18(16)20(25)13-19(17)24-8-5-7-23/h11-12,15,17,19-20,24H,5-10,13-14H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 7.01n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301024
PNG
(CHEMBL571308 | N-(2-fluoroethyl)-3-isobutyl-9,10-d...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(CC3c2cc1OC)NCCF
Show InChI InChI=1S/C21H33FN2O2/c1-14(2)9-16-13-24-8-5-15-10-20(25-3)21(26-4)11-17(15)19(24)12-18(16)23-7-6-22/h10-11,14,16,18-19,23H,5-9,12-13H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.63n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301025
PNG
(CHEMBL569074 | N-(3-fluoropropyl)-3-isobutyl-9,10-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(CC3c2cc1OC)NCCCF
Show InChI InChI=1S/C22H35FN2O2/c1-15(2)10-17-14-25-9-6-16-11-21(26-3)22(27-4)12-18(16)20(25)13-19(17)24-8-5-7-23/h11-12,15,17,19-20,24H,5-10,13-14H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 8.68n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301024
PNG
(CHEMBL571308 | N-(2-fluoroethyl)-3-isobutyl-9,10-d...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(CC3c2cc1OC)NCCF
Show InChI InChI=1S/C21H33FN2O2/c1-14(2)9-16-13-24-8-5-15-10-20(25-3)21(26-4)11-17(15)19(24)12-18(16)23-7-6-22/h10-11,14,16,18-19,23H,5-9,12-13H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 9.21n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301024
PNG
(CHEMBL571308 | N-(2-fluoroethyl)-3-isobutyl-9,10-d...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(CC3c2cc1OC)NCCF
Show InChI InChI=1S/C21H33FN2O2/c1-14(2)9-16-13-24-8-5-15-10-20(25-3)21(26-4)11-17(15)19(24)12-18(16)23-7-6-22/h10-11,14,16,18-19,23H,5-9,12-13H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 28n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301024
PNG
(CHEMBL571308 | N-(2-fluoroethyl)-3-isobutyl-9,10-d...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(CC3c2cc1OC)NCCF
Show InChI InChI=1S/C21H33FN2O2/c1-14(2)9-16-13-24-8-5-15-10-20(25-3)21(26-4)11-17(15)19(24)12-18(16)23-7-6-22/h10-11,14,16,18-19,23H,5-9,12-13H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 28n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301023
PNG
(3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(N)CC3c2cc1OC
Show InChI InChI=1S/C19H30N2O2/c1-12(2)7-14-11-21-6-5-13-8-18(22-3)19(23-4)9-15(13)17(21)10-16(14)20/h8-9,12,14,16-17H,5-7,10-11,20H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 45n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301023
PNG
(3-isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(N)CC3c2cc1OC
Show InChI InChI=1S/C19H30N2O2/c1-12(2)7-14-11-21-6-5-13-8-18(22-3)19(23-4)9-15(13)17(21)10-16(14)20/h8-9,12,14,16-17H,5-7,10-11,20H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
 150n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301026
PNG
(3-isobutyl-9,10-dimethoxy-N-methyl-2,3,4,6,7,11b-h...)
Show SMILES CNC1CC2N(CCc3cc(OC)c(OC)cc23)CC1CC(C)C
Show InChI InChI=1S/C20H32N2O2/c1-13(2)8-15-12-22-7-6-14-9-19(23-4)20(24-5)10-16(14)18(22)11-17(15)21-3/h9-10,13,15,17-18,21H,6-8,11-12H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 199n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301024
PNG
(CHEMBL571308 | N-(2-fluoroethyl)-3-isobutyl-9,10-d...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(CC3c2cc1OC)NCCF
Show InChI InChI=1S/C21H33FN2O2/c1-14(2)9-16-13-24-8-5-15-10-20(25-3)21(26-4)11-17(15)19(24)12-18(16)23-7-6-22/h10-11,14,16,18-19,23H,5-9,12-13H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 230n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301024
PNG
(CHEMBL571308 | N-(2-fluoroethyl)-3-isobutyl-9,10-d...)
Show SMILES COc1cc2CCN3CC(CC(C)C)C(CC3c2cc1OC)NCCF
Show InChI InChI=1S/C21H33FN2O2/c1-14(2)9-16-13-24-8-5-15-10-20(25-3)21(26-4)11-17(15)19(24)12-18(16)23-7-6-22/h10-11,14,16,18-19,23H,5-9,12-13H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 230n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Rattus norvegicus (Rat))		BDBM50301026
PNG
(3-isobutyl-9,10-dimethoxy-N-methyl-2,3,4,6,7,11b-h...)
Show SMILES CNC1CC2N(CCc3cc(OC)c(OC)cc23)CC1CC(C)C
Show InChI InChI=1S/C20H32N2O2/c1-13(2)8-15-12-22-7-6-14-9-19(23-4)20(24-5)10-16(14)18(22)11-17(15)21-3/h9-10,13,15,17-18,21H,6-8,11-12H2,1-5H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
 269n/an/an/an/an/an/an/an/a



Key Laboratory of Radiopharmaceuticals (Beijing Normal University)

Curated by ChEMBL


Assay Description
Displacement of [3H]-DTBZ from VMAT2 in rat striatal membrane homogenates

Bioorg Med Chem Lett 19: 5026-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.048
BindingDB Entry DOI: 10.7270/Q23T9H9G
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%