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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Synaptic vesicular amine transporter' and Ligand = 'BDBM50301024'   
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


(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

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CHEMBL
PC cid
PC sid
UniChem

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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))
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

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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))
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