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Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'perera' and Initial = 'p'   
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


(Bos taurus)		BDBM50017712
PNG
((-)-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
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 1n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50017701
PNG
(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
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 4n/an/an/an/an/an/an/an/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
3D Structure (crystal)
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374536
PNG
(CHEMBL272202)
Show SMILES Oc1cccc(c1)-c1cc[n+](CC(=C)c2ccc(I)cc2)cc1
Show InChI InChI=1S/C20H16INO/c1-15(16-5-7-19(21)8-6-16)14-22-11-9-17(10-12-22)18-3-2-4-20(23)13-18/h2-13H,1,14H2/p+1
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 400n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374535
PNG
(CHEMBL404601)
Show SMILES Oc1ccc(cc1)-c1cc[n+](CC(=C)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C20H16BrNO/c1-15(16-2-6-19(21)7-3-16)14-22-12-10-18(11-13-22)17-4-8-20(23)9-5-17/h2-13H,1,14H2/p+1
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 500n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374537
PNG
(CHEMBL406761)
Show SMILES C=C(CN1CCN(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H22N2/c1-17(18-8-4-2-5-9-18)16-20-12-14-21(15-13-20)19-10-6-3-7-11-19/h2-11H,1,12-16H2
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 1.40E+3n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374553
PNG
(CHEMBL271568)
Show SMILES C[n+]1ccc(cc1)-c1cccc(O)c1
Show InChI InChI=1S/C12H11NO/c1-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-9H,1H3/p+1
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 2.40E+3n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374524
PNG
(CHEMBL272201)
Show SMILES COc1ccc(cc1)-c1cc[n+](CC(=C)c2ccccc2)cc1
Show InChI InChI=1S/C21H20NO/c1-17(18-6-4-3-5-7-18)16-22-14-12-20(13-15-22)19-8-10-21(23-2)11-9-19/h3-15H,1,16H2,2H3/q+1
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 2.80E+3n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374534
PNG
(CHEMBL270469)
Show SMILES C=C(C[n+]1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H22N/c1-21(22-12-14-25(15-13-22)23-8-4-2-5-9-23)20-27-18-16-26(17-19-27)24-10-6-3-7-11-24/h2-19H,1,20H2/q+1
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 4.50E+3n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374530
PNG
(CHEMBL270771)
Show SMILES C[n+]1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C12H11ClN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-9H,1H3/q+1
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 7.60E+3n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374533
PNG
(CHEMBL411716)
Show SMILES CO[C@H]1[C@H](O)C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(O)=O
Show InChI InChI=1S/C22H28N2O5/c1-28-12-3-4-13-14-5-6-24-10-11-7-18(25)21(29-2)19(22(26)27)15(11)9-17(24)20(14)23-16(13)8-12/h3-4,8,11,15,17-19,21,23,25H,5-7,9-10H2,1-2H3,(H,26,27)/t11-,15+,17-,18-,19+,21+/m1/s1
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 1.00E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129613
PNG
(2-(4-Iodo-phenyl)-allylamine | CHEMBL315770)
Show SMILES NCC(=C)c1ccc(I)cc1
Show InChI InChI=1S/C9H10IN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5H,1,6,11H2
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 1.29E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374538
PNG
(CHEMBL260949)
Show SMILES C=C(C[n+]1ccc(nc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C19H17N2/c1-16(17-8-4-2-5-9-17)14-21-13-12-19(20-15-21)18-10-6-3-7-11-18/h2-13,15H,1,14H2/q+1
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 1.34E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50017827
PNG
(4-(1-Aminomethyl-vinyl)-phenol | CHEMBL330118)
Show SMILES NCC(=C)c1ccc(O)cc1
Show InChI InChI=1S/C9H11NO/c1-7(6-10)8-2-4-9(11)5-3-8/h2-5,11H,1,6,10H2
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 1.55E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374525
PNG
(CHEMBL408246)
Show SMILES C=C(CN1CCC(CC1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H23N/c1-17(18-8-4-2-5-9-18)16-21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2-11,20H,1,12-16H2
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 1.64E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129601
PNG
(3-(1-Aminomethyl-vinyl)-phenol | CHEMBL330685)
Show SMILES NCC(=C)c1cccc(O)c1
Show InChI InChI=1S/C9H11NO/c1-7(6-10)8-3-2-4-9(11)5-8/h2-5,11H,1,6,10H2
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 1.67E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129608
PNG
(2-(4-Bromo-phenyl)-allylamine | CHEMBL328957)
Show SMILES NCC(=C)c1ccc(Br)cc1
Show InChI InChI=1S/C9H10BrN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5H,1,6,11H2
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 1.77E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129614
PNG
(2-(4-Chloro-phenyl)-allylamine | CHEMBL89312)
Show SMILES NCC(=C)c1ccc(Cl)cc1
Show InChI InChI=1S/C9H10ClN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5H,1,6,11H2
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 1.80E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374529
PNG
(CHEMBL271567)
Show SMILES C[n+]1ccc(cc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H11F3N/c1-17-7-5-10(6-8-17)11-3-2-4-12(9-11)13(14,15)16/h2-9H,1H3/q+1
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 2.46E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374527
PNG
(CHEMBL552965)
Show SMILES CN1CCC(=CC1)c1cccc(O)c1 |c:4|
Show InChI InChI=1S/C12H15NO/c1-13-7-5-10(6-8-13)11-3-2-4-12(14)9-11/h2-5,9,14H,6-8H2,1H3
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 2.58E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374542
PNG
(CHEMBL537474)
Show SMILES CN1CCC(=CC1)c1cccc(Cl)c1 |c:4|
Show InChI InChI=1S/C12H14ClN/c1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11/h2-5,9H,6-8H2,1H3
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 2.77E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129604
PNG
(2-(3-Methoxy-phenyl)-allylamine | CHEMBL89233)
Show SMILES COc1cccc(c1)C(=C)CN
Show InChI InChI=1S/C10H13NO/c1-8(7-11)9-4-3-5-10(6-9)12-2/h3-6H,1,7,11H2,2H3
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 3.02E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374548
PNG
(CHEMBL271566)
Show SMILES C[n+]1ccc(cc1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C13H11F3N/c1-17-8-6-11(7-9-17)10-2-4-12(5-3-10)13(14,15)16/h2-9H,1H3/q+1
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 3.38E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374528
PNG
(CHEMBL270770)
Show SMILES C[n+]1cccc(c1)-c1cccc(O)c1
Show InChI InChI=1S/C12H11NO/c1-13-7-3-5-11(9-13)10-4-2-6-12(14)8-10/h2-9H,1H3/p+1
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 3.66E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374545
PNG
(CHEMBL536788)
Show SMILES CN1CCC(=CC1)c1ccccc1C |c:4|
Show InChI InChI=1S/C13H17N/c1-11-5-3-4-6-13(11)12-7-9-14(2)10-8-12/h3-7H,8-10H2,1-2H3
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 3.84E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374540
PNG
(CHEMBL260951)
Show SMILES C=C(C[n+]1ccc(cc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H18N/c1-17(18-8-4-2-5-9-18)16-21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2-15H,1,16H2/q+1
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 3.84E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50026188
PNG
(2-Phenyl-allylamine | CHEMBL89394)
Show SMILES NCC(=C)c1ccccc1
Show InChI InChI=1S/C9H11N/c1-8(7-10)9-5-3-2-4-6-9/h2-6H,1,7,10H2
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 4.03E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129605
PNG
(2-(4-Fluoro-phenyl)-allylamine | CHEMBL89804)
Show SMILES NCC(=C)c1ccc(F)cc1
Show InChI InChI=1S/C9H10FN/c1-7(6-11)8-2-4-9(10)5-3-8/h2-5H,1,6,11H2
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 4.23E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374549
PNG
(CHEMBL555612)
Show SMILES C[n+]1ccc(cc1)-c1cccc(Cl)c1
Show InChI InChI=1S/C12H11ClN/c1-14-7-5-10(6-8-14)11-3-2-4-12(13)9-11/h2-9H,1H3/q+1
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 4.63E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374526
PNG
(CHEMBL539867)
Show SMILES CN1CCC(=CC1)c1ccc(F)cc1 |c:4|
Show InChI InChI=1S/C12H14FN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-6H,7-9H2,1H3
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 4.97E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129606
PNG
(4-(1-Aminomethyl-2-bromo-vinyl)-phenol | CHEMBL867...)
Show SMILES NC\C(=C/Br)c1ccc(O)cc1
Show InChI InChI=1S/C9H10BrNO/c10-5-8(6-11)7-1-3-9(12)4-2-7/h1-5,12H,6,11H2/b8-5+
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 5.00E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374550
PNG
(CHEMBL273074)
Show SMILES C[n+]1ccc(cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C12H11FN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-9H,1H3/q+1
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 5.13E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374547
PNG
(CHEMBL261603)
Show SMILES Cc1ccc(cc1)-c1cc[n+](C)cc1
Show InChI InChI=1S/C13H14N/c1-11-3-5-12(6-4-11)13-7-9-14(2)10-8-13/h3-10H,1-2H3/q+1
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 5.18E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50003599
PNG
(1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine | CHE...)
Show SMILES CN1CCC(=CC1)c1ccccc1 |c:4|
Show InChI InChI=1S/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
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 5.25E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374541
PNG
(CHEMBL260950)
Show SMILES C[N+]1=CC=C(CC1)c1ccccc1 |c:3,t:1|
Show InChI InChI=1S/C12H14N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7,9H,8,10H2,1H3/q+1
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 5.30E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374539
PNG
(CHEMBL260733)
Show SMILES C=C(C[n+]1ccc(cc1)C1CCCCC1)c1ccccc1
Show InChI InChI=1S/C20H24N/c1-17(18-8-4-2-5-9-18)16-21-14-12-20(13-15-21)19-10-6-3-7-11-19/h2,4-5,8-9,12-15,19H,1,3,6-7,10-11,16H2/q+1
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 5.30E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129607
PNG
(2-p-Tolyl-allylamine | CHEMBL316424)
Show SMILES Cc1ccc(cc1)C(=C)CN
Show InChI InChI=1S/C10H13N/c1-8-3-5-10(6-4-8)9(2)7-11/h3-6H,2,7,11H2,1H3
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 5.59E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374551
PNG
(CHEMBL271522)
Show SMILES Cc1cc(ccc1O)-c1cc[n+](C)cc1
Show InChI InChI=1S/C13H13NO/c1-10-9-12(3-4-13(10)15)11-5-7-14(2)8-6-11/h3-9H,1-2H3/p+1
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 6.50E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129609
PNG
(1-Methyl-2-phenyl-allylamine | CHEMBL89402)
Show SMILES CC(N)C(=C)c1ccccc1
Show InChI InChI=1S/C10H13N/c1-8(9(2)11)10-6-4-3-5-7-10/h3-7,9H,1,11H2,2H3
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 7.84E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374531
PNG
(CHEMBL271569)
Show SMILES C[n+]1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C12H11NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-9H,1H3/p+1
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 8.20E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM81945
PNG
(CAS_39484 | CHEMBL105891 | CHEMBL108926 | CHEMBL27...)
Show SMILES C[n+]1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C12H12N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3/q+1
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 9.20E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129612
PNG
(4-(1-Methylaminomethyl-vinyl)-phenol | CHEMBL88398)
Show SMILES CNCC(=C)c1ccc(O)cc1
Show InChI InChI=1S/C10H13NO/c1-8(7-11-2)9-3-5-10(12)6-4-9/h3-6,11-12H,1,7H2,2H3
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 9.37E+4n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374554
PNG
(CHEMBL271570)
Show SMILES Cc1ccccc1-c1cc[n+](C)cc1
Show InChI InChI=1S/C13H14N/c1-11-5-3-4-6-13(11)12-7-9-14(2)10-8-12/h3-10H,1-2H3/q+1
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 9.50E+4n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129610
PNG
(2-(4-Methoxy-phenyl)-allylamine | CHEMBL86397)
Show SMILES COc1ccc(cc1)C(=C)CN
Show InChI InChI=1S/C10H13NO/c1-8(7-11)9-3-5-10(12-2)6-4-9/h3-6H,1,7,11H2,2H3
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 1.03E+5n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374552
PNG
(CHEMBL406268)
Show SMILES COc1ccc(cc1)-c1cc[n+](C)cc1
Show InChI InChI=1S/C13H14NO/c1-14-9-7-12(8-10-14)11-3-5-13(15-2)6-4-11/h3-10H,1-2H3/q+1
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 1.06E+5n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50025879
PNG
(4-(1-Methyl-1,2,3,6-tetrahydro-pyridin-4-yl)-pheno...)
Show SMILES CN1CCC(=CC1)c1ccc(O)cc1 |c:4|
Show InChI InChI=1S/C12H15NO/c1-13-8-6-11(7-9-13)10-2-4-12(14)5-3-10/h2-6,14H,7-9H2,1H3
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 1.34E+5n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374544
PNG
(CHEMBL537675)
Show SMILES CN1CCC(=CC1)c1ccccc1N |c:4|
Show InChI InChI=1S/C12H16N2/c1-14-8-6-10(7-9-14)11-4-2-3-5-12(11)13/h2-6H,7-9,13H2,1H3
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 1.93E+5n/an/an/an/an/an/an/an/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
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129611
PNG
(4-(1-Diethylaminomethyl-vinyl)-phenol | CHEMBL3154...)
Show SMILES CCN(CC)CC(=C)c1ccc(O)cc1
Show InChI InChI=1S/C13H19NO/c1-4-14(5-2)10-11(3)12-6-8-13(15)9-7-12/h6-9,15H,3-5,10H2,1-2H3
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 2.02E+5n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129603
PNG
(4-(2-Diethylamino-1-methylene-propyl)-phenol | CHE...)
Show SMILES CCN(CC)C(C)C(=C)c1ccc(O)cc1
Show InChI InChI=1S/C14H21NO/c1-5-15(6-2)12(4)11(3)13-7-9-14(16)10-8-13/h7-10,12,16H,3,5-6H2,1-2,4H3
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 2.07E+5n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50129602
PNG
(1-(2-Phenyl-allyl)-pyridinium | CHEMBL86387)
Show SMILES C=C(C[n+]1ccccc1)c1ccccc1
Show InChI InChI=1S/C14H14N/c1-13(14-8-4-2-5-9-14)12-15-10-6-3-7-11-15/h2-11H,1,12H2/q+1
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 2.41E+5n/an/an/an/an/an/an/an/a



Wichita State University

Curated by ChEMBL


Assay Description
Inhibitory constant for dopamine uptake into resealed bovine chromaffin granule ghosts through the vesicular monoamine transporter

J Med Chem 46: 2599-605 (2003)


Article DOI: 10.1021/jm030004p
BindingDB Entry DOI: 10.7270/Q2MS3S51
More data for this
Ligand-Target Pair
Synaptic vesicular amine transporter


(Bos taurus)		BDBM50374546
PNG
(CHEMBL261822)
Show SMILES C[n+]1cccc(c1)-c1ccc(O)cc1
Show InChI InChI=1S/C12H11NO/c1-13-8-2-3-11(9-13)10-4-6-12(14)7-5-10/h2-9H,1H3/p+1
PDB

KEGG

UniProtKB/SwissProt

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UniChem

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PubMed
 3.38E+5n/an/an/an/an/an/an/an/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
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