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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with Target = 'Vesicular glutamate transporter 3' AND taxid = 10116   
Target
(Institution)
LigandTarget
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
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50366944
PNG
(Azovan Blue | Azovan sodium | EVANS BLUE)
Show SMILES Cc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S([O-])(=O)=O)S([O-])(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S([O-])(=O)=O)S([O-])(=O)=O)c(C)c1
Show InChI InChI=1S/C34H28N6O14S4/c1-15-11-17(3-7-21(15)37-39-23-9-5-19-25(55(43,44)45)13-27(57(49,50)51)31(35)29(19)33(23)41)18-4-8-22(16(2)12-18)38-40-24-10-6-20-26(56(46,47)48)14-28(58(52,53)54)32(36)30(20)34(24)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/p-4
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40n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113317
PNG
(Bis[4-Amino-5-hydroxy-6-(2-methoxy-phenylazo)-naph...)
Show SMILES COc1cc(ccc1N=Nc1ccc2c(cc(c(N)c2c1O)S(O)(=O)=O)S(O)(=O)=O)-c1ccc(N=Nc2ccc3c(cc(c(N)c3c2O)S(O)(=O)=O)S(O)(=O)=O)c(OC)c1
Show InChI InChI=1S/C34H28N6O16S4/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)
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190n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50089912
PNG
((2S)-2-amino-4-methylidenepentanedioic acid | 4-me...)
Show SMILES N[C@@H](CC(=C)C(O)=O)C(O)=O
Show InChI InChI=1S/C6H9NO4/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
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3.00E+3n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113314
PNG
(6-Biphenyl-4-yl-quinoline-2,4-dicarboxylic acid | ...)
Show SMILES OC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H15NO4/c25-22(26)19-13-21(23(27)28)24-20-11-10-17(12-18(19)20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,25,26)(H,27,28)
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4.10E+4n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Estimated inhibitory conc. against Vesicular glutamate transporter (VGLUT), using Cheng-Prushoff equation


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113320
PNG
(6-(2-Biphenyl-4-yl-vinyl)-quinoline-2,4-dicarboxyl...)
Show SMILES OC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccc(cc3)-c3ccccc3)ccc2n1
Show InChI InChI=1S/C25H17NO4/c27-24(28)21-15-23(25(29)30)26-22-13-10-17(14-20(21)22)7-6-16-8-11-19(12-9-16)18-4-2-1-3-5-18/h1-15H,(H,27,28)(H,29,30)/b7-6+
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6.40E+4n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Estimated inhibitory conc. against Vesicular glutamate transporter (VGLUT), using Cheng-Prushoff equation


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113314
PNG
(6-Biphenyl-4-yl-quinoline-2,4-dicarboxylic acid | ...)
Show SMILES OC(=O)c1cc(C(O)=O)c2cc(ccc2n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H15NO4/c25-22(26)19-13-21(23(27)28)24-20-11-10-17(12-18(19)20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H,(H,25,26)(H,27,28)
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9.50E+4n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibitory conc. against Vesicular glutamate transporter (VGLUT), derived from Lineweaver-Burke analysis


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113318
PNG
(6-Styryl-quinoline-2,4-dicarboxylic acid | CHEMBL7...)
Show SMILES OC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccccc3)ccc2n1
Show InChI InChI=1S/C19H13NO4/c21-18(22)15-11-17(19(23)24)20-16-9-8-13(10-14(15)16)7-6-12-4-2-1-3-5-12/h1-11H,(H,21,22)(H,23,24)/b7-6+
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1.29E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibitory conc. against Vesicular glutamate transporter (VGLUT), derived from Lineweaver-Burke analysis


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113321
PNG
(6-Phenethyl-quinoline-2,4-dicarboxylic acid | CHEM...)
Show SMILES OC(=O)c1cc(C(O)=O)c2cc(CCc3ccccc3)ccc2n1
Show InChI InChI=1S/C19H15NO4/c21-18(22)15-11-17(19(23)24)20-16-9-8-13(10-14(15)16)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2,(H,21,22)(H,23,24)
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1.43E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Estimated inhibitory conc. against Vesicular glutamate transporter (VGLUT), using Cheng-Prushoff equation


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113318
PNG
(6-Styryl-quinoline-2,4-dicarboxylic acid | CHEMBL7...)
Show SMILES OC(=O)c1cc(C(O)=O)c2cc(\C=C\c3ccccc3)ccc2n1
Show InChI InChI=1S/C19H13NO4/c21-18(22)15-11-17(19(23)24)20-16-9-8-13(10-14(15)16)7-6-12-4-2-1-3-5-12/h1-11H,(H,21,22)(H,23,24)/b7-6+
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1.67E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Estimated inhibitory conc. against Vesicular glutamate transporter (VGLUT), using Cheng-Prushoff equation


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113323
PNG
(6-Phenethyloxy-quinoline-2,4-dicarboxylic acid | C...)
Show SMILES OC(=O)c1cc(C(O)=O)c2cc(OCCc3ccccc3)ccc2n1
Show InChI InChI=1S/C19H15NO5/c21-18(22)15-11-17(19(23)24)20-16-7-6-13(10-14(15)16)25-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,21,22)(H,23,24)
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1.89E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Estimated inhibitory conc. against Vesicular glutamate transporter (VGLUT), using Cheng-Prushoff equation


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113313
PNG
(4,8-Dihydroxy-quinoline-2-carboxylic acid anion | ...)
Show SMILES OC(=O)c1cc(O)c2cccc(O)c2n1
Show InChI InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
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1.90E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50081123
PNG
(6-Benzyloxy-quinoline-2,4-dicarboxylic acid | CHEM...)
Show SMILES OC(=O)c1cc(C(O)=O)c2cc(OCc3ccccc3)ccc2n1
Show InChI InChI=1S/C18H13NO5/c20-17(21)14-9-16(18(22)23)19-15-7-6-12(8-13(14)15)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21)(H,22,23)
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2.04E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibitory conc. against Vesicular glutamate transporter (VGLUT), derived from Lineweaver-Burke analysis


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113319
PNG
(8-Hydroxy-quinoline-2,4-dicarboxylic acid | CHEMBL...)
Show SMILES OC(=O)c1cc(C(O)=O)c2cccc(O)c2n1
Show InChI InChI=1S/C11H7NO5/c13-8-3-1-2-5-6(10(14)15)4-7(11(16)17)12-9(5)8/h1-4,13H,(H,14,15)(H,16,17)
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2.86E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Estimated inhibitory conc. against Vesicular glutamate transporter (VGLUT), using Cheng-Prushoff equation


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113322
PNG
(6-Phenylazo-quinoline-2,4-dicarboxylic acid | CHEM...)
Show SMILES OC(=O)c1cc(C(O)=O)c2cc(ccc2n1)\N=N\c1ccccc1
Show InChI InChI=1S/C17H11N3O4/c21-16(22)13-9-15(17(23)24)18-14-7-6-11(8-12(13)14)20-19-10-4-2-1-3-5-10/h1-9H,(H,21,22)(H,23,24)/b20-19+
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2.88E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Compound was evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported,.using Cheng-Prushoff eq...


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50081123
PNG
(6-Benzyloxy-quinoline-2,4-dicarboxylic acid | CHEM...)
Show SMILES OC(=O)c1cc(C(O)=O)c2cc(OCc3ccccc3)ccc2n1
Show InChI InChI=1S/C18H13NO5/c20-17(21)14-9-16(18(22)23)19-15-7-6-12(8-13(14)15)24-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,21)(H,22,23)
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3.68E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Estimated inhibitory conc. against Vesicular glutamate transporter (VGLUT), using Cheng-Prushoff equation


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50005001
PNG
(7-Chloro-4-hydroxy-quinoline-2-carboxylic acid | 7...)
Show SMILES OC(=O)c1cc(O)c2ccc(Cl)cc2n1
Show InChI InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)
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5.90E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50060136
PNG
((1R,3S)-1-Amino-cyclopentane-1,3-dicarboxylic acid...)
Show SMILES N[C@@]1(CC[C@@H](C1)C(O)=O)C(O)=O
Show InChI InChI=1S/C7H11NO4/c8-7(6(11)12)2-1-4(3-7)5(9)10/h4H,1-3,8H2,(H,9,10)(H,11,12)/t4-,7+/m0/s1
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7.00E+5n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM81975
PNG
(4-hydroxyquinoline-2-carboxylic acid | CAS_492-27-...)
Show SMILES OC(=O)c1cc(O)c2ccccc2n1
Show InChI InChI=1S/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
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1.30E+6n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of Vesicular glutamate transporter (VGLUT)


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair
Vesicular glutamate transporter 3


(Rattus norvegicus)
BDBM50113315
PNG
(5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3...)
Show SMILES CC(C)C1N2CC(NC(=O)C3CN(C)C4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(OC2C2(O)CCCN2C1=O)C(C)C
Show InChI InChI=1S/C31H40BrN5O4/c1-16(2)25-28(39)37-11-7-10-31(37,40)29-36(25)15-30(41-29,17(3)4)34-27(38)18-12-20-19-8-6-9-22-24(19)21(26(32)33-22)13-23(20)35(5)14-18/h6,8-9,12,16-18,23,25,29,33,40H,7,10-11,13-15H2,1-5H3,(H,34,38)
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n/an/a 2.20E+4n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Compound was evaluated for competitive inhibition against Vesicular glutamate transporter (VGLUT), and Ki value was reported.


J Med Chem 45: 2260-76 (2002)

More data for this
Ligand-Target Pair