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Compile Data Set for Download or QSAR

Found 259 hits with Last Name = 'fivush' 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)
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
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
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))
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
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))
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
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
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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50434132
PNG
(CHEMBL2381642)
Show SMILES N[C@]1(C[C@@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2-,3+,4+,5+,8+/m1/s1
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166n/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))
BDBM50434133
PNG
(CHEMBL2381643)
Show SMILES N[C@]1(C[C@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1
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230n/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))
BDBM50558780
PNG
(CHEMBL4779554)
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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238n/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))
BDBM50558778
PNG
(CHEMBL4778355)
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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251n/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))
BDBM50558778
PNG
(CHEMBL4778355)
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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268n/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))
BDBM50558780
PNG
(CHEMBL4779554)
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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271n/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))
BDBM50558767
PNG
(CHEMBL4755204)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccccc1F)[C@H]2O)C(O)=O |r|
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369n/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))
BDBM50558777
PNG
(CHEMBL4749728)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSC(C)C)[C@H]2O)C(O)=O |r|
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614n/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))
BDBM50558767
PNG
(CHEMBL4755204)
Show SMILES Cl.[H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSc1ccccc1F)[C@H]2O)C(O)=O |r|
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728n/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))
BDBM50558777
PNG
(CHEMBL4749728)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](CSC(C)C)[C@H]2O)C(O)=O |r|
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1.20E+3n/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
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50429650
PNG
(CHEMBL2334981)
Show SMILES CC(C)c1cccc(n1)-c1c(NC(=O)[C@@H]2C[C@H]2C)snc1-c1ccc2nn(C)cc2c1 |r|
Show InChI InChI=1S/C24H25N5OS/c1-13(2)18-6-5-7-20(25-18)21-22(15-8-9-19-16(11-15)12-29(4)27-19)28-31-24(21)26-23(30)17-10-14(17)3/h5-9,11-14,17H,10H2,1-4H3,(H,26,30)/t14-,17-/m1/s1
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3.16E+3n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2B receptor (unknown origin)


Bioorg Med Chem Lett 23: 1249-52 (2013)


Article DOI: 10.1016/j.bmcl.2013.01.009
BindingDB Entry DOI: 10.7270/Q2DJ5H0Z
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 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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>1.00E+5n/an/an/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-Astemizole from human ERG by membrane binding assay


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
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM28661
PNG
(2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR delta receptor


Bioorg Med Chem Lett 13: 1517-21 (2003)


BindingDB Entry DOI: 10.7270/Q2VQ322G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50127222
PNG
(CHEMBL38508 | GW-0742 | {4-[2-(3-Fluoro-4-trifluor...)
Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
Show InChI InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)
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n/an/a 1n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity for human PPAR delta receptor


Bioorg Med Chem Lett 13: 1517-21 (2003)


BindingDB Entry DOI: 10.7270/Q2VQ322G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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n/an/a 2.5n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human recombinant mGlu3 stably expressed in golden hamster AV12 cell membrane co-expressing Galpha15 assessed as assessed as r...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
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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n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human recombinant mGlu3 stably expressed in golden hamster AV12 cell membrane co-expressing Galpha15 assessed as assessed as r...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor delta


(Homo sapiens (Human))
BDBM50127221
PNG
(CHEMBL289887 | {2-Methyl-4-[4-methyl-2-(4-trifluor...)
Show SMILES Cc1nc(oc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C21H18F3NO4S/c1-12-9-16(7-8-17(12)28-10-19(26)27)30-11-18-13(2)25-20(29-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Maximum transcriptional activation of human PPAR delta receptor


Bioorg Med Chem Lett 13: 1517-21 (2003)


BindingDB Entry DOI: 10.7270/Q2VQ322G
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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n/an/a 4.10n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human recombinant mGlu2 receptor stably expressed in golden hamster AV12 cell membrane co-expressing Galpha15 assessed as asse...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
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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n/an/a 6.20n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human recombinant mGlu3 receptor stably expressed in golden hamster AV12 cells co-expressing rat EAAT1 assessed as reduction i...


Citation and Details

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


(Homo sapiens (Human))
BDBM50434133
PNG
(CHEMBL2381643)
Show SMILES N[C@]1(C[C@H](O)[C@H]2[C@@H]([C@@H]12)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C8H11NO5/c9-8(7(13)14)1-2(10)3-4(5(3)8)6(11)12/h2-5,10H,1,9H2,(H,11,12)(H,13,14)/t2-,3-,4-,5-,8-/m0/s1
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n/an/a 6.30n/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at mGlu3 (unknown origin)


Citation and Details

BindingDB Entry DOI: 10.7270/Q2611419
More data for this
Ligand-Target Pair
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