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Compile Data Set for Download or QSAR

Found 10 hits from Domain Therapeutics SA   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50332633
PNG
(CHEMBL1630806 | N-(4-Methylphenyl)-7-oxo-7,7a-dihy...)
Show SMILES Cc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,16H,10H2,1H3,(H,19,21)
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600n/an/an/an/an/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50332634
PNG
(CHEMBL1630807 | N-(4-Methoxyphenyl)-7-oxo-7,7a-dih...)
Show SMILES COc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-12-8-6-11(7-9-12)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)24-18/h2-9,14,16H,10H2,1H3,(H,19,21)
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800n/an/an/an/an/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50332632
PNG
(CHEMBL1630805 | N-(4-Chlorophenyl)-7-oxo-7,7a-dihy...)
Show SMILES Clc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C17H13ClN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,15H,9H2,(H,19,21)
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1.00E+3n/an/an/an/an/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50332631
PNG
(CHEMBL1630804 | N-(4-Fluorophenyl)-7-oxo-7,7a-dihy...)
Show SMILES Fc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C17H13FN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,15H,9H2,(H,19,21)
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6.60E+3n/an/an/an/an/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Binding affinity to GFP tagged human mGluR2 containing truncated N-terminal region expressed in HEK cells by FRET assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50332632
PNG
(CHEMBL1630805 | N-(4-Chlorophenyl)-7-oxo-7,7a-dihy...)
Show SMILES Clc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C17H13ClN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,15H,9H2,(H,19,21)
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n/an/a 800n/an/an/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human mGluR2 expressed in HEK cells in presence of glutamate EC80 concentration by Ca2+ functional assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50332634
PNG
(CHEMBL1630807 | N-(4-Methoxyphenyl)-7-oxo-7,7a-dih...)
Show SMILES COc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-12-8-6-11(7-9-12)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)24-18/h2-9,14,16H,10H2,1H3,(H,19,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human mGluR2 expressed in HEK cells in presence of glutamate EC80 concentration by Ca2+ functional assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2 (mGluR2)


(Homo sapiens (Human))
BDBM50332633
PNG
(CHEMBL1630806 | N-(4-Methylphenyl)-7-oxo-7,7a-dihy...)
Show SMILES Cc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,16H,10H2,1H3,(H,19,21)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity at human mGluR2 expressed in HEK cells in presence of glutamate EC80 concentration by Ca2+ functional assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
metabotropic glutamate 1c


(HUMAN)
BDBM50332632
PNG
(CHEMBL1630805 | N-(4-Chlorophenyl)-7-oxo-7,7a-dihy...)
Show SMILES Clc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C17H13ClN2O3/c18-10-5-7-11(8-6-10)19-16(21)17-9-13(17)15(20-22)12-3-1-2-4-14(12)23-17/h1-8,13,15H,9H2,(H,19,21)
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n/an/an/an/a 1.34E+4n/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGluR3 expressed in HEK cells in presence of glutamate EC10 concentration by Ca2+ functional assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
metabotropic glutamate 1c


(HUMAN)
BDBM50332633
PNG
(CHEMBL1630806 | N-(4-Methylphenyl)-7-oxo-7,7a-dihy...)
Show SMILES Cc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C18H16N2O3/c1-11-6-8-12(9-7-11)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)23-18/h2-9,14,16H,10H2,1H3,(H,19,21)
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n/an/an/an/a 8.90E+3n/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGluR3 expressed in HEK cells in presence of glutamate EC10 concentration by Ca2+ functional assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair
metabotropic glutamate 1c


(HUMAN)
BDBM50332634
PNG
(CHEMBL1630807 | N-(4-Methoxyphenyl)-7-oxo-7,7a-dih...)
Show SMILES COc1ccc(NC(=O)C23CC2C(N=O)c2ccccc2O3)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-12-8-6-11(7-9-12)19-17(21)18-10-14(18)16(20-22)13-4-2-3-5-15(13)24-18/h2-9,14,16H,10H2,1H3,(H,19,21)
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n/an/an/an/a 1.04E+4n/an/an/an/a



Domain Therapeutics SA

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at human mGluR3 expressed in HEK cells in presence of glutamate EC10 concentration by Ca2+ functional assay


J Med Chem 53: 8775-9 (2010)


Article DOI: 10.1021/jm101069m
BindingDB Entry DOI: 10.7270/Q2WD40VJ
More data for this
Ligand-Target Pair