Found 417 hits Enz. Inhib. hit(s) with Target = 'Synaptic vesicular amine transporter' AND taxid = 9606 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
(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
(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
(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
| | 1.10 | 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)) | 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)) | 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)) | 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)) | 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)) | 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)) | 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
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.20 | 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.20 | 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.40 | 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.40 | 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.5 | 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 2.60 | 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
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 2.60 | 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
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 2.60 | 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
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| US Patent
| 2.60 | 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
(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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 3.10 | 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 3.40 | 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 3.5 | 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 3.70 | 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 3.70 | 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)) | BDBM611912
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-[(4- fluoro...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCc1ccc(F)cc1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 4.20 | 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
| | 4.80 | 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)) | BDBM611888
(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#N)C1CC1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 4.80 | 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)) | BDBM516376
(US11053242, Compound 1-1)Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@H](CO)C[C@@H]3c2cc1OC |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| 5.20 | 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
(Homo sapiens (Human)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
PDB
Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc
Curated by ChEMBL
| Assay Description
Displacement of [3H]reserpine from human VMAT2 expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting method |
J Med Chem 61: 9121-9131 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00542
BindingDB Entry DOI: 10.7270/Q2KH0QZ9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM611913
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-[(3- fluoro...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCc1cccc(F)c1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 5.5 | 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)) | BDBM611860
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-(2- fluoroe...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCCF |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 5.5 | 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)) | BDBM611869
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-[(1- hydrox...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC1(O)CCC1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 5.5 | 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)) | BDBM611948
((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)CN3CCc2cc1OCCCCC(F)(F)F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 6.10 | 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)) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 6.60 | 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
(Homo sapiens (Human)) | BDBM611890
(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)CN3CCc2cc1OCCC1(CC1)C#N |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 7.30 | 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)) | BDBM611861
((2R,3R,11bR)-3-(2,2- dimethylpropyl)-9-[(3- fluoro...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC1(F)COC1 |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 8.10 | 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)) | BDBM611914
((2R,3R,11bR)-9-(2-chloro-2,2- difluoroethoxy)-3-(2...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC(F)(F)Cl |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 8.70 | 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)) | BDBM611896
((2R,3R,11bR)-9-(3,3-difluoro- 2-hydroxypropoxy)-3-...)Show SMILES COc1cc2[C@H]3C[C@@H](O)[C@H](CC(C)(C)C)CN3CCc2cc1OCC(O)C(F)F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 9.40 | 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)) | BDBM611915
((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)(O)C(F)(F)F |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 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)) | BDBM516402
(US11053242, Compound 2-25)Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@H](COC(=O)C4CCN(C)CC4)C[C@@H]3c2cc1OC |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The human Ki's for the compounds listed in Table 11 were determined using a slightly modified procedure shown below (see data in column under the... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q21N8496 |
More data for this
Ligand-Target Pair | |
Synaptic vesicular amine transporter
(Homo sapiens (Human)) | BDBM516403
(US11053242, Compound 2-26)Show SMILES COc1cc2CCN3C[C@@H](CC(C)C)[C@H](COC(=O)[C@H]4CCN(Cc5ccccc5)C4)C[C@@H]3c2cc1OC |r| | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| <10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
The human Ki's for the compounds listed in Table 11 were determined using a slightly modified procedure shown below (see data in column under the... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q21N8496 |
More data for this
Ligand-Target Pair | |
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