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Compile Data Set for Download or QSAR

Found 292 hits with Last Name = 'schkeryantz' and Initial = 'jm'   
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))
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
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
rRNA adenine N-6-methyltransferase


(Streptococcus pneumoniae)
BDBM50081297
PNG
(1-[4-Amino-6-(indan-2-ylamino)-[1,3,5]triazin-2-yl...)
Show SMILES Nc1nc(NC2Cc3ccccc3C2)nc(n1)N1CCC(CC1)C(=O)NCCc1c[nH]c2ccccc12
Show InChI InChI=1S/C28H32N8O/c29-26-33-27(32-22-15-19-5-1-2-6-20(19)16-22)35-28(34-26)36-13-10-18(11-14-36)25(37)30-12-9-21-17-31-24-8-4-3-7-23(21)24/h1-8,17-18,22,31H,9-16H2,(H,30,37)(H3,29,32,33,34,35)
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2.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against ErmAM methylase


J Med Chem 42: 3852-9 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43MD
More data for this
Ligand-Target Pair
rRNA adenine N-6-methyltransferase


(Streptococcus pneumoniae)
BDBM50081299
PNG
(CHEMBL125249 | N-(5-Fluoro-indan-2-yl)-6-piperidin...)
Show SMILES Nc1nc(NC2Cc3ccc(F)cc3C2)nc(n1)N1CCCCC1
Show InChI InChI=1S/C17H21FN6/c18-13-5-4-11-9-14(10-12(11)8-13)20-16-21-15(19)22-17(23-16)24-6-2-1-3-7-24/h4-5,8,14H,1-3,6-7,9-10H2,(H3,19,20,21,22,23)
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3.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against ErmAM methylase


J Med Chem 42: 3852-9 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43MD
More data for this
Ligand-Target Pair
rRNA adenine N-6-methyltransferase


(Streptococcus pneumoniae)
BDBM50081279
PNG
(6-(3-Amino-phenyl)-N-indan-2-yl-[1,3,5]triazine-2,...)
Show SMILES Nc1cccc(c1)-c1nc(N)nc(NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C18H18N6/c19-14-7-3-6-13(8-14)16-22-17(20)24-18(23-16)21-15-9-11-4-1-2-5-12(11)10-15/h1-8,15H,9-10,19H2,(H3,20,21,22,23,24)
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4.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against ErmAM methylase


J Med Chem 42: 3852-9 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43MD
More data for this
Ligand-Target Pair
rRNA adenine N-6-methyltransferase


(Streptococcus pneumoniae)
BDBM50081285
PNG
(CHEMBL124572 | N-(5-Methoxy-indan-2-yl)-6-piperidi...)
Show SMILES COc1ccc2CC(Cc2c1)Nc1nc(N)nc(n1)N1CCCCC1
Show InChI InChI=1S/C18H24N6O/c1-25-15-6-5-12-9-14(10-13(12)11-15)20-17-21-16(19)22-18(23-17)24-7-3-2-4-8-24/h5-6,11,14H,2-4,7-10H2,1H3,(H3,19,20,21,22,23)
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6.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against ErmAM methylase


J Med Chem 42: 3852-9 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43MD
More data for this
Ligand-Target Pair
rRNA adenine N-6-methyltransferase


(Streptococcus pneumoniae)
BDBM50081300
PNG
(2-(3-{4-[2-Amino-6-(indan-2-ylamino)-pyrimidin-4-y...)
Show SMILES Nc1nc(NC2Cc3ccccc3C2)cc(n1)-c1ccc(NCCCc2ccccc2O)cc1
Show InChI InChI=1S/C28H29N5O/c29-28-32-25(18-27(33-28)31-24-16-21-7-1-2-8-22(21)17-24)19-11-13-23(14-12-19)30-15-5-9-20-6-3-4-10-26(20)34/h1-4,6-8,10-14,18,24,30,34H,5,9,15-17H2,(H3,29,31,32,33)
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7.50E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against ErmAM methylase


J Med Chem 42: 3852-9 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43MD
More data for this
Ligand-Target Pair
rRNA adenine N-6-methyltransferase


(Streptococcus pneumoniae)
BDBM50081283
PNG
(CHEMBL331440 | N-Indan-2-yl-6-piperidin-1-yl-[1,3,...)
Show SMILES Nc1nc(NC2Cc3ccccc3C2)nc(n1)N1CCCCC1
Show InChI InChI=1S/C17H22N6/c18-15-20-16(22-17(21-15)23-8-4-1-5-9-23)19-14-10-12-6-2-3-7-13(12)11-14/h2-3,6-7,14H,1,4-5,8-11H2,(H3,18,19,20,21,22)
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8.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against ErmAM methylase


J Med Chem 42: 3852-9 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43MD
More data for this
Ligand-Target Pair
rRNA adenine N-6-methyltransferase


(Streptococcus pneumoniae)
BDBM50081278
PNG
(CHEMBL333812 | {1-[4-Amino-6-(indan-2-ylamino)-[1,...)
Show SMILES Nc1nc(NC2Cc3ccccc3C2)nc(n1)N1CCC(CO)CC1
Show InChI InChI=1S/C18H24N6O/c19-16-21-17(20-15-9-13-3-1-2-4-14(13)10-15)23-18(22-16)24-7-5-12(11-25)6-8-24/h1-4,12,15,25H,5-11H2,(H3,19,20,21,22,23)
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9.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against ErmAM methylase


J Med Chem 42: 3852-9 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43MD
More data for this
Ligand-Target Pair
rRNA adenine N-6-methyltransferase


(Streptococcus pneumoniae)
BDBM50081292
PNG
(CHEMBL338033 | N-Indan-2-yl-6-methylsulfanyl-[1,3,...)
Show SMILES CSc1nc(N)nc(NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C13H15N5S/c1-19-13-17-11(14)16-12(18-13)15-10-6-8-4-2-3-5-9(8)7-10/h2-5,10H,6-7H2,1H3,(H3,14,15,16,17,18)
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1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against ErmAM methylase


J Med Chem 42: 3852-9 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43MD
More data for this
Ligand-Target Pair
rRNA adenine N-6-methyltransferase


(Streptococcus pneumoniae)
BDBM50081275
PNG
(2-{3-[4-Amino-6-(indan-2-ylamino)-[1,3,5]triazin-2...)
Show SMILES Nc1nc(NCCCc2c(O)cc(Cl)cc2Cl)nc(NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C21H22Cl2N6O/c22-14-10-17(23)16(18(30)11-14)6-3-7-25-20-27-19(24)28-21(29-20)26-15-8-12-4-1-2-5-13(12)9-15/h1-2,4-5,10-11,15,30H,3,6-9H2,(H4,24,25,26,27,28,29)
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1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against ErmAM methylase


J Med Chem 42: 3852-9 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43MD
More data for this
Ligand-Target Pair
rRNA adenine N-6-methyltransferase


(Bacillus subtilis)
BDBM50081279
PNG
(6-(3-Amino-phenyl)-N-indan-2-yl-[1,3,5]triazine-2,...)
Show SMILES Nc1cccc(c1)-c1nc(N)nc(NC2Cc3ccccc3C2)n1
Show InChI InChI=1S/C18H18N6/c19-14-7-3-6-13(8-14)16-22-17(20)24-18(23-16)21-15-9-11-4-1-2-5-12(11)10-15/h1-8,15H,9-10,19H2,(H3,20,21,22,23,24)
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1.00E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against ErmC methylase


J Med Chem 42: 3852-9 (1999)


BindingDB Entry DOI: 10.7270/Q21Z43MD
More data for this
Ligand-Target Pair
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