Found 887 hits of ki data for polymerid = 50000159,50001137,8986 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM50301022
((+)-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
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((+)-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
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal homogenate after 60 mins by gamma counting |
Bioorg Med Chem Lett 21: 3435-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.113
BindingDB Entry DOI: 10.7270/Q289166R |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM50301022
((+)-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
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM611939
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-{[(1R,2R)- ...)Show SMILES CC[C@@H]1C[C@H]1COc1cc2CCN3C[C@@H](CC(C)(C)C)[C@H](O)C[C@@H]3c2cc1OC |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611952
((2R,3R,11bR)-9- (cyclobutylmethoxy)-3-(2,2- dimeth...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC1CCC1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM50301022
((+)-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
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM611867
(1-(2-{[(2R,3R,11bR)-3-(2,2- dimethylpropyl)-2-hydr...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCCOC1(CCC1)C#N |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611873
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-(3- fluorop...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCCCF |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611905
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-10-methoxy- 9...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC(C)=C |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611877
((2R,3R,11bR)-9-cyclobutoxy- 3-(2,2-dimethylpropyl)...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OC1CCC1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611937
((2R,3R,11bR)-9- (cyclopropylmethoxy)-3-(2,2- dimet...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC1CC1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611954
((2R,3R,11bR)-9-[(2,2- difluorocyclopropyl)methoxy]...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC1CC1(F)F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611906
((2R,3R,11bR)-9-{[1- (difluoromethyl)cyclo- propyl]...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC1(CC1)C(F)F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.930 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611872
((2R,3R,11bR)-9-cyclopropoxy- 3-(2,2-dimethylpropyl...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OC1CC1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Bos taurus) | BDBM50017712
((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)Show SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r| Show InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1 | PDB
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| PDB
Article
PubMed
| 1 | 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 | 
3D Structure (crystal) |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM50301021
((+)-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
| 1.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description
Displacement of [125I]-iodovinyl-TBZ from VMAT2 in rat striatal homogenate after 60 mins by gamma counting |
Bioorg Med Chem Lett 21: 3435-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.03.113
BindingDB Entry DOI: 10.7270/Q289166R |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611856
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-10-methoxy- 9...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCCC(F)(F)F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611858
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-ethoxy-10- ...)Show SMILES CCOc1cc2CCN3C[C@@H](CC(C)(C)C)[C@H](O)C[C@@H]3c2cc1OC |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611900
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-[(2R)-2- hy...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OC[C@@H](C)O |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611858
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-ethoxy-10- ...)Show SMILES CCOc1cc2CCN3C[C@@H](CC(C)(C)C)[C@H](O)C[C@@H]3c2cc1OC |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611895
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-10-methoxy- 9...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OC[C@H](O)C(F)(F)F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611953
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-10-methoxy- 9...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCCCC(F)(F)F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611908
(5-({[(2R,3R,11bR)-3-(2,2- dimethylpropyl)-2-hydrox...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCc1ccc(o1)C#N |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611876
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-[(1- fluoro...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC1(F)CC1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM50301021
((+)-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
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CHEMBL
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| US Patent
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Examples of techniques for determining the capability of a compound to inhibit VMAT2 are provided below. The procedure is adapted from that described... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q21N8496 |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM50301021
((+)-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
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Examples of techniques for determining the capability of a compound to inhibit VMAT2 are provided below. The procedure is adapted from that described... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q21N8496 |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM50301021
((+)-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
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TBA
| Assay Description
Examples of techniques for determining the capability of a compound to inhibit VMAT2 are provided below. The procedure is adapted from that described... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q21N8496 |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM50301021
((+)-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
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TBA
| Assay Description
Inhibition of VMAT2 in rat brain |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00202
BindingDB Entry DOI: 10.7270/Q2NZ8CCP |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM50301021
((+)-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
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TBA
| Assay Description
Inhibition of VMAT2 in rat brain |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00202
BindingDB Entry DOI: 10.7270/Q2NZ8CCP |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611854
((2R,3R,11bR)-9-(2,2- difluoroethoxy)-3-(2,2- dimet...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC(F)F |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611950
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-[2-(4- fluo...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCCc1ccc(F)cc1 |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611889
(2-(2-{[(2R,3R,11bR)-3-(2,2- dimethylpropyl)-2-hydr...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCCOC(C)(C)C#N |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611842
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-10-methoxy- 9...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC(F)(F)F |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM50301021
((+)-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
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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
(Homo sapiens (Human)) | BDBM611897
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-(methoxy- d...)Show SMILES COc1cc2CCN3C[C@@H](CC(C)(C)C)[C@H](O)C[C@@H]3c2cc1OC |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611855
((2R,3R,11bR)-9-(2,2- difluoropropoxy)-3-(2,2- dime...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC(C)(F)F |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM516376
(US11053242, Compound 1-1)Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@H](CO)C[C@@H]3c2cc1OC |r| | PDB
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TBA
| Assay Description
Examples of techniques for determining the capability of a compound to inhibit VMAT2 are provided below. The procedure is adapted from that described... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q21N8496 |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM50301021
((+)-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
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TBA
| Assay Description
Examples of techniques for determining the capability of a compound to inhibit VMAT2 are provided below. The procedure is adapted from that described... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q21N8496 |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM50301021
((+)-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
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TBA
| Assay Description
Examples of techniques for determining the capability of a compound to inhibit VMAT2 are provided below. The procedure is adapted from that described... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q21N8496 |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM50301021
((+)-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
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TBA
| Assay Description
Examples of techniques for determining the capability of a compound to inhibit VMAT2 are provided below. The procedure is adapted from that described... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q21N8496 |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM50048893
((2R,3R,11bR)-3-Isobutyl-9,10-dimethoxy-2-methyl-1,...)Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@](C)(O)C[C@@H]3c2cc1OC Show InChI InChI=1S/C20H31NO3/c1-13(2)8-15-12-21-7-6-14-9-18(23-4)19(24-5)10-16(14)17(21)11-20(15,3)22/h9-10,13,15,17,22H,6-8,11-12H2,1-5H3/t15-,17-,20-/m1/s1 | PDB
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University of Michigan Medical School
Curated by ChEMBL
| Assay Description
Compound was tested in vitro for the inhibition of [3H]- Methoxytetrabenazine binding to rat brain vesicular monoamine transporter 2 (VMAT2) |
J Med Chem 39: 191-6 (1996)
Article DOI: 10.1021/jm950117b
BindingDB Entry DOI: 10.7270/Q2FJ2FVH |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611909
((2R,3R,11bR)-9-(benzyloxy)- 3-(2,2-dimethylpropyl)...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCc1ccccc1 |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611853
((2S,3R,11bR)-3-(2,2- dimethylpropyl)-10-methoxy- 9...)Show SMILES COc1cc2[C@H]3C[C@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCCC(F)(F)F |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611910
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-[(1- fluoro...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC1(F)CCC1 |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611911
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-10-methoxy- 9...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC(O)CC(F)(F)F |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611883
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-10-methoxy- 9...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OC(C)C |r| | PDB
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2571H4Z |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM50301021
((+)-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
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| 3.75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
((+)-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
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| 3.96 | 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 | |
Synaptic vesicular amine transporter
(Rattus norvegicus (Rat)) | BDBM50080818
((-)-lobeline | 2-(6-(2-Hydroxy-2-phenylethyl)-1-me...)Show SMILES CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1 |r| Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1 | PDB
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| 4 | 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 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 | |
Synaptic vesicular amine transporter
(Bos taurus) | BDBM50017701
(3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-...)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 | PDB
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| 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 |
3D Structure (crystal) |
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