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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'garbison' and Initial = 'ke'   
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)
BDBM50379862
PNG
(CHEMBL2011870)
Show SMILES COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379867
PNG
(CHEMBL2011877)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C15H15BrN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t8-,12-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379866
PNG
(CHEMBL2011874)
Show SMILES COc1ccc(cc1F)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C16H17FN2O2S/c1-8-6-11(8)15(20)18-16-9(2)14(19-22-16)10-4-5-13(21-3)12(17)7-10/h4-5,7-8,11H,6H2,1-3H3,(H,18,20)/t8-,11-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379861
PNG
(CHEMBL2011876)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H15ClN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t8-,12-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50379865
PNG
(CHEMBL2011873)
Show SMILES CCOc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C17H20N2O2S/c1-4-21-13-7-5-12(6-8-13)15-11(3)17(22-19-15)18-16(20)14-9-10(14)2/h5-8,10,14H,4,9H2,1-3H3,(H,18,20)/t10-,14-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379862
PNG
(CHEMBL2011870)
Show SMILES COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379862
PNG
(CHEMBL2011870)
Show SMILES COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379868
PNG
(CHEMBL2011878)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H14Cl2N2OS/c1-7-5-10(7)14(20)18-15-8(2)13(19-21-15)9-3-4-11(16)12(17)6-9/h3-4,6-7,10H,5H2,1-2H3,(H,18,20)/t7-,10-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379864
PNG
(CHEMBL2011872)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccccc1 |r|
Show InChI InChI=1S/C15H16N2OS/c1-9-8-12(9)14(18)16-15-10(2)13(17-19-15)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379869
PNG
(CHEMBL2011879)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(cc1)C(C)(F)F |r|
Show InChI InChI=1S/C17H18F2N2OS/c1-9-8-13(9)15(22)20-16-10(2)14(21-23-16)11-4-6-12(7-5-11)17(3,18)19/h4-7,9,13H,8H2,1-3H3,(H,20,22)/t9-,13-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379865
PNG
(CHEMBL2011873)
Show SMILES CCOc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C17H20N2O2S/c1-4-21-13-7-5-12(6-8-13)15-11(3)17(22-19-15)18-16(20)14-9-10(14)2/h5-8,10,14H,4,9H2,1-3H3,(H,18,20)/t10-,14-/m1/s1
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n/an/a 92n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379860
PNG
(CHEMBL2011875)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C15H15FN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t8-,12-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379863
PNG
(CHEMBL2011871)
Show SMILES COc1ccc(cc1)-c1nsc(NC(=O)[C@H]2C[C@@H]2C)c1C |r|
Show InChI InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50379870
PNG
(CHEMBL2011880)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C15H16N2O2S/c1-8-7-12(8)14(19)16-15-9(2)13(17-20-15)10-3-5-11(18)6-4-10/h3-6,8,12,18H,7H2,1-2H3,(H,16,19)/t8-,12-/m1/s1
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n/an/a 138n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Allosteric antagonist activity at human recombinant mGluR1 expressed in AV12 cells assessed as intracellular calcium concentration using Fluo-3 dye b...


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50379862
PNG
(CHEMBL2011870)
Show SMILES COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/m1/s1
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n/an/a 158n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50379866
PNG
(CHEMBL2011874)
Show SMILES COc1ccc(cc1F)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C16H17FN2O2S/c1-8-6-11(8)15(20)18-16-9(2)14(19-22-16)10-4-5-13(21-3)12(17)7-10/h4-5,7-8,11H,6H2,1-3H3,(H,18,20)/t8-,11-/m1/s1
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n/an/a 159n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50379867
PNG
(CHEMBL2011877)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Br)cc1 |r|
Show InChI InChI=1S/C15H15BrN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t8-,12-/m1/s1
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n/an/a 730n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50379861
PNG
(CHEMBL2011876)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C15H15ClN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t8-,12-/m1/s1
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n/an/a 1.22E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50379868
PNG
(CHEMBL2011878)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(Cl)c(Cl)c1 |r|
Show InChI InChI=1S/C15H14Cl2N2OS/c1-7-5-10(7)14(20)18-15-8(2)13(19-21-15)9-3-4-11(16)12(17)6-9/h3-4,6-7,10H,5H2,1-2H3,(H,18,20)/t7-,10-/m1/s1
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n/an/a 6.65E+3n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50379860
PNG
(CHEMBL2011875)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C15H15FN2OS/c1-8-7-12(8)14(19)17-15-9(2)13(18-20-15)10-3-5-11(16)6-4-10/h3-6,8,12H,7H2,1-2H3,(H,17,19)/t8-,12-/m1/s1
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n/an/a>1.25E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50379869
PNG
(CHEMBL2011879)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(cc1)C(C)(F)F |r|
Show InChI InChI=1S/C17H18F2N2OS/c1-9-8-13(9)15(22)20-16-10(2)14(21-23-16)11-4-6-12(7-5-11)17(3,18)19/h4-7,9,13H,8H2,1-3H3,(H,20,22)/t9-,13-/m1/s1
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n/an/a>1.25E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50379870
PNG
(CHEMBL2011880)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccc(O)cc1 |r|
Show InChI InChI=1S/C15H16N2O2S/c1-8-7-12(8)14(19)16-15-9(2)13(17-20-15)10-3-5-11(18)6-4-10/h3-6,8,12,18H,7H2,1-2H3,(H,16,19)/t8-,12-/m1/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
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UniChem

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Article
PubMed
n/an/a>1.25E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50379864
PNG
(CHEMBL2011872)
Show SMILES C[C@@H]1C[C@H]1C(=O)Nc1snc(c1C)-c1ccccc1 |r|
Show InChI InChI=1S/C15H16N2OS/c1-9-8-12(9)14(18)16-15-10(2)13(17-19-15)11-6-4-3-5-7-11/h3-7,9,12H,8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.25E+4n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair