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Compile Data Set for Download or QSAR

Found 3495 hits with Last Name = 'vu' and Initial = 'a'   
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
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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1.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]nisoxetine binding to human NET expressed in MDCK-Net6 cells by plate scintillation counting


J Med Chem 52: 5703-11 (2009)


Article DOI: 10.1021/jm900888c
BindingDB Entry DOI: 10.7270/Q2CR5V9W
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM35229
PNG
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)
Show SMILES CNCCCN1c2ccccc2CCc2ccccc12
Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3
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2.10n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET expressed in MDCK-Net6 cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50558766
PNG
(CHEMBL4751065)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(F)c1)[C@H]2O)C(O)=O |r|
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2.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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2.70n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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4.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50558768
PNG
(CHEMBL4759992)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(C)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
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4.5n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50558768
PNG
(CHEMBL4759992)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(C)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
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5.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50558766
PNG
(CHEMBL4751065)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(F)c1)[C@H]2O)C(O)=O |r|
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5.30n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50558774
PNG
(CHEMBL4780402)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(C)c1)[C@H]2O)C(O)=O |r|
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5.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50558775
PNG
(CHEMBL4776989)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)cc1)[C@H]2O)C(O)=O |r|
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6.80n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204261
PNG
(CHEMBL3969063)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2Sc1nc[nH]n1)C(O)=O |r|
Show InChI InChI=1S/C17H16Cl2N4O5S/c18-7-2-1-6(3-8(7)19)4-28-13-12(29-16-21-5-22-23-16)9-10(14(24)25)11(9)17(13,20)15(26)27/h1-3,5,9-13H,4,20H2,(H,24,25)(H,26,27)(H,21,22,23)/t9-,10-,11-,12-,13+,17+/m0/s1
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7.40n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50558769
PNG
(CHEMBL4746125)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(C)c1)[C@H]2NC(C)=O)C(O)=O |r|
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7.70n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50558772
PNG
(CHEMBL4748699)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
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8.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50558774
PNG
(CHEMBL4780402)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(C)c1)[C@H]2O)C(O)=O |r|
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8.90n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50558769
PNG
(CHEMBL4746125)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(C)c1)[C@H]2NC(C)=O)C(O)=O |r|
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9.20n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50558772
PNG
(CHEMBL4748699)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
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9.40n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50558775
PNG
(CHEMBL4776989)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)cc1)[C@H]2O)C(O)=O |r|
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10n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50558773
PNG
(CHEMBL4757159)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(C)c(C)c1)[C@H]2O)C(O)=O |r|
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14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243500
PNG
((-)-1-[(1S)-1-(3-Chlorophenyl)-2-(4-methylpiperazi...)
Show SMILES CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1
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14n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50558771
PNG
(CHEMBL4760856)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
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16n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243503
PNG
((+)-1-[(1S)-1-(3-Chlorophenyl)-2-piperazin-1-yleth...)
Show SMILES OC1(CCCCC1)[C@H](CN1CCNCC1)c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2/t17-/m1/s1
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17n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243501
PNG
(1-[1-(3-Chlorophenyl)-2-piperazin-1-ylethyl]cycloh...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2
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18n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50558779
PNG
(CHEMBL4759209)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccccc1)[C@H]2O)C(O)=O |r|
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19n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204257
PNG
(CHEMBL3947221)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11-,12+,15+/m0/s1
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20n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50558771
PNG
(CHEMBL4760856)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSCc1ccc(Cl)c(Cl)c1)[C@H]2O)C(O)=O |r|
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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50558779
PNG
(CHEMBL4759209)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccccc1)[C@H]2O)C(O)=O |r|
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21n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50010884
PNG
(1-(2-(dimethylamino)-1-(3-(trifluoromethyl)phenyl)...)
Show SMILES CN(C)CC(c1cccc(c1)C(F)(F)F)C1(O)CCCCC1
Show InChI InChI=1S/C17H24F3NO/c1-21(2)12-15(16(22)9-4-3-5-10-16)13-7-6-8-14(11-13)17(18,19)20/h6-8,11,15,22H,3-5,9-10,12H2,1-2H3
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21n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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22.1n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35428 binding to human recombinant DAT expressed in CHO cells by scintillation counting


J Med Chem 52: 5703-11 (2009)


Article DOI: 10.1021/jm900888c
BindingDB Entry DOI: 10.7270/Q2CR5V9W
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50005536
PNG
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)
Show SMILES OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1 |c:5|
Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2
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22.1n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells


J Med Chem 54: 6824-31 (2011)


Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50558770
PNG
(CHEMBL4756556)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(C)c1)[C@H]2N)C(O)=O |r|
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24n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50558776
PNG
(CHEMBL4784701)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1cccc(F)c1)[C@H]2O)C(O)=O |r|
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50558781
PNG
(CHEMBL4781638)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccccc1)[C@@H]2O)C(O)=O |r|
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50558773
PNG
(CHEMBL4757159)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(C)c(C)c1)[C@H]2O)C(O)=O |r|
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26n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50558781
PNG
(CHEMBL4781638)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccccc1)[C@@H]2O)C(O)=O |r|
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31n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50558770
PNG
(CHEMBL4756556)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccc(F)c(C)c1)[C@H]2N)C(O)=O |r|
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36n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu3 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243464
PNG
((-)-1-[(1R)-1-(3-Chlorophenyl)-2-(dimethylamino)et...)
Show SMILES CN(C)C[C@@H](c1cccc(Cl)c1)C1(O)CCCCC1 |r|
Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-15(13-7-6-8-14(17)11-13)16(19)9-4-3-5-10-16/h6-8,11,15,19H,3-5,9-10,12H2,1-2H3/t15-/m0/s1
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41n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50558776
PNG
(CHEMBL4784701)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1cccc(F)c1)[C@H]2O)C(O)=O |r|
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44n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]-LY459477 from recombinant human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing rat EAAT1 incubated for 90...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243501
PNG
(1-[1-(3-Chlorophenyl)-2-piperazin-1-ylethyl]cycloh...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1cccc(Cl)c1
Show InChI InChI=1S/C18H27ClN2O/c19-16-6-4-5-15(13-16)17(14-21-11-9-20-10-12-21)18(22)7-2-1-3-8-18/h4-6,13,17,20,22H,1-3,7-12,14H2
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45n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human recombinant dopamine transporter expressed in CHO cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243468
PNG
(1-[1-(3-Chlorophenyl)-2-(4-methylpiperazin-1-yl)et...)
Show SMILES CN1CCN(CC(c2cccc(Cl)c2)C2(O)CCCCC2)CC1
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3
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46n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50242927
PNG
((-)-1-{(1S)-2-(4-Methylpiperazin-1-yl)-1-[3-(trifl...)
Show SMILES CN1CCN(C[C@H](c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C20H29F3N2O2/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)27-20(21,22)23/h5-7,14,18,26H,2-4,8-13,15H2,1H3/t18-/m1/s1
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50n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243468
PNG
(1-[1-(3-Chlorophenyl)-2-(4-methylpiperazin-1-yl)et...)
Show SMILES CN1CCN(CC(c2cccc(Cl)c2)C2(O)CCCCC2)CC1
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3
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53n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human recombinant dopamine transporter expressed in CHO cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243017
PNG
(1-{2-Piperazin-1-yl-1-[3-(trifluoromethyl)phenyl]e...)
Show SMILES OC1(CCCCC1)C(CN1CCNCC1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C19H27F3N2O/c20-19(21,22)16-6-4-5-15(13-16)17(14-24-11-9-23-10-12-24)18(25)7-2-1-3-8-18/h4-6,13,17,23,25H,1-3,7-12,14H2
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58n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243016
PNG
(1-{2-(3-Methylpiperazin-1-yl)-1-[3-(trifluoromethy...)
Show SMILES CN1CCN(CC(c2cccc(c2)C(F)(F)F)C2(O)CCCCC2)CC1
Show InChI InChI=1S/C20H29F3N2O/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)20(21,22)23/h5-7,14,18,26H,2-4,8-13,15H2,1H3
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61n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50243500
PNG
((-)-1-[(1S)-1-(3-Chlorophenyl)-2-(4-methylpiperazi...)
Show SMILES CN1CCN(C[C@H](c2cccc(Cl)c2)C2(O)CCCCC2)CC1 |r|
Show InChI InChI=1S/C19H29ClN2O/c1-21-10-12-22(13-11-21)15-18(16-6-5-7-17(20)14-16)19(23)8-3-2-4-9-19/h5-7,14,18,23H,2-4,8-13,15H2,1H3/t18-/m1/s1
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73n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from human recombinant dopamine transporter expressed in CHO cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204269
PNG
(CHEMBL3909237)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1ccc(Cl)c(Cl)c1)[C@@H]2O)C(O)=O |r|
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-2-1-5(3-7(6)17)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11+,12+,15+/m0/s1
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76n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-LY459477 from human mGlu2 receptor expressed in hamster AV12 cell membranes co-expressing human EAAT1 after 90 mins by liquid sc...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50242925
PNG
(1-{2-(3-Methylpiperazin-1-yl)-1-[3-(trifluorometho...)
Show SMILES CN1CCN(CC(c2cccc(OC(F)(F)F)c2)C2(O)CCCCC2)CC1
Show InChI InChI=1S/C20H29F3N2O2/c1-24-10-12-25(13-11-24)15-18(19(26)8-3-2-4-9-19)16-6-5-7-17(14-16)27-20(21,22)23/h5-7,14,18,26H,2-4,8-13,15H2,1H3
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91n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50243015
PNG
((+)-1-{(1S)-2-Piperazin-1-yl-1-[3-(trifluoromethox...)
Show SMILES OC1(CCCCC1)[C@H](CN1CCNCC1)c1cccc(OC(F)(F)F)c1 |r|
Show InChI InChI=1S/C19H27F3N2O2/c20-19(21,22)26-16-6-4-5-15(13-16)17(14-24-11-9-23-10-12-24)18(25)7-2-1-3-8-18/h4-6,13,17,23,25H,1-3,7-12,14H2/t17-/m1/s1
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117n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50010860
PNG
(1-(1-(2-chlorophenyl)-2-(dimethylamino)ethyl)cyclo...)
Show SMILES CN(C)CC(c1ccccc1Cl)C1(O)CCCCC1
Show InChI InChI=1S/C16H24ClNO/c1-18(2)12-14(13-8-4-5-9-15(13)17)16(19)10-6-3-7-11-16/h4-5,8-9,14,19H,3,6-7,10-12H2,1-2H3
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125n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells


J Med Chem 51: 4038-49 (2008)


Article DOI: 10.1021/jm8002262
BindingDB Entry DOI: 10.7270/Q2TB16PB
More data for this
Ligand-Target Pair
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