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Compile Data Set for Download or QSAR

Found 23 hits Enz. Inhib. hit(s) with all data for entry = 50028309   
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 1


(RAT)
BDBM50258142
PNG
(2,7-difluoro-N-(4-(trifluoromethyl)oxazol-2-yl)-9H...)
Show SMILES Fc1ccc2Oc3ccc(F)cc3C(C(=O)Nc3nc(co3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H9F5N2O3/c19-8-1-3-12-10(5-8)15(11-6-9(20)2-4-13(11)28-12)16(26)25-17-24-14(7-27-17)18(21,22)23/h1-7,15H,(H,24,25,26)
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n/an/an/an/a 90n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258224
PNG
(CHEMBL522875 | rac-2-fluoro-N-(5-(trifluoromethyl)...)
Show SMILES Fc1ccc2Oc3ccccc3C(C(=O)Nc3ncc(o3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H10F4N2O3/c19-9-5-6-13-11(7-9)15(10-3-1-2-4-12(10)26-13)16(25)24-17-23-8-14(27-17)18(20,21)22/h1-8,15H,(H,23,24,25)
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n/an/an/an/a 67n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258225
PNG
(2,7-difluoro-N-(oxazol-2-yl)-9H-xanthene-9-carboxa...)
Show SMILES Fc1ccc2Oc3ccc(F)cc3C(C(=O)Nc3ncco3)c2c1
Show InChI InChI=1S/C17H10F2N2O3/c18-9-1-3-13-11(7-9)15(16(22)21-17-20-5-6-23-17)12-8-10(19)2-4-14(12)24-13/h1-8,15H,(H,20,21,22)
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n/an/an/an/a 124n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258223
PNG
(CHEMBL494960 | rac-4-fluoro-N-(5-(trifluoromethyl)...)
Show SMILES Fc1cccc2C(C(=O)Nc3ncc(o3)C(F)(F)F)c3ccccc3Oc12
Show InChI InChI=1S/C18H10F4N2O3/c19-11-6-3-5-10-14(9-4-1-2-7-12(9)26-15(10)11)16(25)24-17-23-8-13(27-17)18(20,21)22/h1-8,14H,(H,23,24,25)
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n/an/an/an/a 131n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258225
PNG
(2,7-difluoro-N-(oxazol-2-yl)-9H-xanthene-9-carboxa...)
Show SMILES Fc1ccc2Oc3ccc(F)cc3C(C(=O)Nc3ncco3)c2c1
Show InChI InChI=1S/C17H10F2N2O3/c18-9-1-3-13-11(7-9)15(16(22)21-17-20-5-6-23-17)12-8-10(19)2-4-14(12)24-13/h1-8,15H,(H,20,21,22)
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n/an/an/an/a 140n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258227
PNG
(4,5-difluoro-N-(4-(trifluoromethyl)oxazol-2-yl)-9H...)
Show SMILES Fc1cccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3cccc(F)c3Oc12
Show InChI InChI=1S/C18H9F5N2O3/c19-10-5-1-3-8-13(9-4-2-6-11(20)15(9)28-14(8)10)16(26)25-17-24-12(7-27-17)18(21,22)23/h1-7,13H,(H,24,25,26)
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n/an/an/an/a 161n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258186
PNG
(4,5-difluoro-N-(5-(trifluoromethyl)oxazol-2-yl)-9H...)
Show SMILES Fc1cccc2C(C(=O)Nc3ncc(o3)C(F)(F)F)c3cccc(F)c3Oc12
Show InChI InChI=1S/C18H9F5N2O3/c19-10-5-1-3-8-13(9-4-2-6-11(20)15(9)28-14(8)10)16(26)25-17-24-7-12(27-17)18(21,22)23/h1-7,13H,(H,24,25,26)
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n/an/an/an/a 162n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258140
PNG
(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Show SMILES FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
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n/an/an/an/a 202n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258139
PNG
(CHEMBL492378 | N-(5-methyl-1,2,4-oxadiazol-3-yl)-9...)
Show SMILES Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc23)no1
Show InChI InChI=1S/C17H13N3O3/c1-10-18-17(20-23-10)19-16(21)15-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)15/h2-9,15H,1H3,(H,19,20,21)
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n/an/an/an/a 220n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258184
PNG
(CHEMBL492979 | rac-3-fluoro-N-(4-(trifluoromethyl)...)
Show SMILES Fc1ccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3ccccc3Oc2c1
Show InChI InChI=1S/C18H10F4N2O3/c19-9-5-6-11-13(7-9)27-12-4-2-1-3-10(12)15(11)16(25)24-17-23-14(8-26-17)18(20,21)22/h1-8,15H,(H,23,24,25)
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n/an/an/an/a 260n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258226
PNG
(CHEMBL494966 | N-(5-(trifluoromethyl)oxazol-2-yl)-...)
Show SMILES FC(F)(F)c1cnc(NC(=O)C2c3ccccc3Oc3ccccc23)o1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-22-17(26-14)23-16(24)15-10-5-1-3-7-12(10)25-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
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n/an/an/an/a 394n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258185
PNG
(CHEMBL522161 | rac-4-fluoro-N-(4-(trifluoromethyl)...)
Show SMILES Fc1cccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3ccccc3Oc12
Show InChI InChI=1S/C18H10F4N2O3/c19-11-6-3-5-10-14(9-4-1-2-7-12(9)27-15(10)11)16(25)24-17-23-13(8-26-17)18(20,21)22/h1-8,14H,(H,23,24,25)
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n/an/an/an/a 19n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258224
PNG
(CHEMBL522875 | rac-2-fluoro-N-(5-(trifluoromethyl)...)
Show SMILES Fc1ccc2Oc3ccccc3C(C(=O)Nc3ncc(o3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H10F4N2O3/c19-9-5-6-13-11(7-9)15(10-3-1-2-4-12(10)26-13)16(25)24-17-23-8-14(27-17)18(20,21)22/h1-8,15H,(H,23,24,25)
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258223
PNG
(CHEMBL494960 | rac-4-fluoro-N-(5-(trifluoromethyl)...)
Show SMILES Fc1cccc2C(C(=O)Nc3ncc(o3)C(F)(F)F)c3ccccc3Oc12
Show InChI InChI=1S/C18H10F4N2O3/c19-11-6-3-5-10-14(9-4-1-2-7-12(9)26-15(10)11)16(25)24-17-23-8-13(27-17)18(20,21)22/h1-8,14H,(H,23,24,25)
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n/an/an/an/a 21n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258186
PNG
(4,5-difluoro-N-(5-(trifluoromethyl)oxazol-2-yl)-9H...)
Show SMILES Fc1cccc2C(C(=O)Nc3ncc(o3)C(F)(F)F)c3cccc(F)c3Oc12
Show InChI InChI=1S/C18H9F5N2O3/c19-10-5-1-3-8-13(9-4-2-6-11(20)15(9)28-14(8)10)16(26)25-17-24-7-12(27-17)18(21,22)23/h1-7,13H,(H,24,25,26)
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n/an/an/an/a 25n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258226
PNG
(CHEMBL494966 | N-(5-(trifluoromethyl)oxazol-2-yl)-...)
Show SMILES FC(F)(F)c1cnc(NC(=O)C2c3ccccc3Oc3ccccc23)o1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-22-17(26-14)23-16(24)15-10-5-1-3-7-12(10)25-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258141
PNG
(CHEMBL492570 | rac-2-fluoro-N-(4-(trifluoromethyl)...)
Show SMILES Fc1ccc2Oc3ccccc3C(C(=O)Nc3nc(co3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H10F4N2O3/c19-9-5-6-13-11(7-9)15(10-3-1-2-4-12(10)27-13)16(25)24-17-23-14(8-26-17)18(20,21)22/h1-8,15H,(H,23,24,25)
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258184
PNG
(CHEMBL492979 | rac-3-fluoro-N-(4-(trifluoromethyl)...)
Show SMILES Fc1ccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3ccccc3Oc2c1
Show InChI InChI=1S/C18H10F4N2O3/c19-9-5-6-11-13(7-9)27-12-4-2-1-3-10(12)15(11)16(25)24-17-23-14(8-26-17)18(20,21)22/h1-8,15H,(H,23,24,25)
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F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258142
PNG
(2,7-difluoro-N-(4-(trifluoromethyl)oxazol-2-yl)-9H...)
Show SMILES Fc1ccc2Oc3ccc(F)cc3C(C(=O)Nc3nc(co3)C(F)(F)F)c2c1
Show InChI InChI=1S/C18H9F5N2O3/c19-8-1-3-12-10(5-8)15(11-6-9(20)2-4-13(11)28-12)16(26)25-17-24-14(7-27-17)18(21,22)23/h1-7,15H,(H,24,25,26)
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n/an/an/an/a 44n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258227
PNG
(4,5-difluoro-N-(4-(trifluoromethyl)oxazol-2-yl)-9H...)
Show SMILES Fc1cccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3cccc(F)c3Oc12
Show InChI InChI=1S/C18H9F5N2O3/c19-10-5-1-3-8-13(9-4-2-6-11(20)15(9)28-14(8)10)16(26)25-17-24-12(7-27-17)18(21,22)23/h1-7,13H,(H,24,25,26)
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n/an/an/an/a 47n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258139
PNG
(CHEMBL492378 | N-(5-methyl-1,2,4-oxadiazol-3-yl)-9...)
Show SMILES Cc1nc(NC(=O)C2c3ccccc3Oc3ccccc23)no1
Show InChI InChI=1S/C17H13N3O3/c1-10-18-17(20-23-10)19-16(21)15-11-6-2-4-8-13(11)22-14-9-5-3-7-12(14)15/h2-9,15H,1H3,(H,19,20,21)
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n/an/an/an/a 52n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258140
PNG
(CHEMBL521982 | N-(4-(trifluoromethyl)oxazol-2-yl)-...)
Show SMILES FC(F)(F)c1coc(NC(=O)C2c3ccccc3Oc3ccccc23)n1
Show InChI InChI=1S/C18H11F3N2O3/c19-18(20,21)14-9-25-17(22-14)23-16(24)15-10-5-1-3-7-12(10)26-13-8-4-2-6-11(13)15/h1-9,15H,(H,22,23,24)
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n/an/an/an/a 56n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells assessed as increase in intracellular calcium by FLIPR assay


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50258185
PNG
(CHEMBL522161 | rac-4-fluoro-N-(4-(trifluoromethyl)...)
Show SMILES Fc1cccc2C(C(=O)Nc3nc(co3)C(F)(F)F)c3ccccc3Oc12
Show InChI InChI=1S/C18H10F4N2O3/c19-11-6-3-5-10-14(9-4-1-2-7-12(9)27-15(10)11)16(25)24-17-23-13(8-26-17)18(20,21)22/h1-8,14H,(H,23,24,25)
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n/an/an/an/a 102n/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in CHO cells assessed as reversal of glutamate-activated K+ currents by electrophysiology


Bioorg Med Chem Lett 19: 1666-9 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.108
BindingDB Entry DOI: 10.7270/Q20G3K12
More data for this
Ligand-Target Pair