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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 195.1
BDBM50175072
Wt: 195.1
BDBM50207814

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 16 hits in this display   
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 4


(Rattus norvegicus (Rat))
BDBM50175072
PNG
((S)-2-amino-2-((1R,2S)-2-phosphonocyclopropyl)acet...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4-/m0/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat mGluR4 expressed in BHK cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50207814
PNG
((2S,1'R,2'S)-2-(2'-phosphonocyclopropyl)glycine | ...)
Show SMILES NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM50207814
PNG
((2S,1'R,2'S)-2-(2'-phosphonocyclopropyl)glycine | ...)
Show SMILES NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1
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6.30E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat recombinant mGluR8 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM50175072
PNG
((S)-2-amino-2-((1R,2S)-2-phosphonocyclopropyl)acet...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4-/m0/s1
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6.30E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat mGluR8 expressed in BHK cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Homo sapiens (Human))
BDBM50175072
PNG
((S)-2-amino-2-((1R,2S)-2-phosphonocyclopropyl)acet...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4-/m0/s1
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n/an/an/an/a 7.00E+5n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Activity at human mGluR7 by measuring cAMP formation in BHK cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50207814
PNG
((2S,1'R,2'S)-2-(2'-phosphonocyclopropyl)glycine | ...)
Show SMILES NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1
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n/an/an/an/a 9.40E+3n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Agonist activity at rat recombinant mGluR4 expressed in BHK cells


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Rattus norvegicus (Rat))
BDBM50207814
PNG
((2S,1'R,2'S)-2-(2'-phosphonocyclopropyl)glycine | ...)
Show SMILES NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Activity at rat recombinant mGluR6 expressed in CHO cells assessed as cAMP production


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50207814
PNG
((2S,1'R,2'S)-2-(2'-phosphonocyclopropyl)glycine | ...)
Show SMILES NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Activity at human recombinant mGluR2 expressed in BHK cells assessed as stimulation of [35S]GTP-gamma-S binding


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Homo sapiens (Human))
BDBM50207814
PNG
((2S,1'R,2'S)-2-(2'-phosphonocyclopropyl)glycine | ...)
Show SMILES NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1
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n/an/an/an/a 7.00E+5n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Activity at human recombinant mGluR7 expressed in BHK cells assessed as cAMP production


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50207814
PNG
((2S,1'R,2'S)-2-(2'-phosphonocyclopropyl)glycine | ...)
Show SMILES NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Activity at rat recombinant mGluR1 expressed in CHO cells assessed as intracellular calcium concentration


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50207814
PNG
((2S,1'R,2'S)-2-(2'-phosphonocyclopropyl)glycine | ...)
Show SMILES NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Activity at rat recombinant mGluR5 expressed in CHO cells assessed as intracellular calcium concentration


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 6


(Rattus norvegicus (Rat))
BDBM50175072
PNG
((S)-2-amino-2-((1R,2S)-2-phosphonocyclopropyl)acet...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4-/m0/s1
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n/an/an/an/a 1.30E+4n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Activity at rat mGluR6 by measuring cAMP formation in CHO cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50175072
PNG
((S)-2-amino-2-((1R,2S)-2-phosphonocyclopropyl)acet...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Activity at rat mGluR5 by measuring intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50175072
PNG
((S)-2-amino-2-((1R,2S)-2-phosphonocyclopropyl)acet...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4-/m0/s1
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n/an/an/an/a 9.40E+3n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Functional activity at rat mGluR4


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50175072
PNG
((S)-2-amino-2-((1R,2S)-2-phosphonocyclopropyl)acet...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4-/m0/s1
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n/an/an/an/a>1.00E+6n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Activity at rat mGluR1 by measuring intracellular calcium concentration in CHO cells


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50175072
PNG
((S)-2-amino-2-((1R,2S)-2-phosphonocyclopropyl)acet...)
Show SMILES N[C@@H]([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4-/m0/s1
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PubMed
n/an/an/an/a>1.00E+6n/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Activity at human mGluR2 from BHK cells in [35S]GTP-gamma-S stimulation assay


Bioorg Med Chem Lett 16: 196-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.014
BindingDB Entry DOI: 10.7270/Q2DZ0932
More data for this
Ligand-Target Pair