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PubMed code 26531152

Compile data set for download or QSAR
Found 23 hits of Enzyme Inhibition Constant Data   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))		BDBM50499216
PNG
(CHEMBL3736345)
Show SMILES CC(C)(C)n1nnc2CC(CCc12)n1cnc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H21FN6/c1-18(2,3)25-16-9-8-14(10-15(16)21-23-25)24-11-20-17(22-24)12-4-6-13(19)7-5-12/h4-7,11,14H,8-10H2,1-3H3
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n/an/a 6.31E+3n/an/an/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Inhibition of human ERG

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499220
PNG
(CHEMBL3735821)
Show SMILES CC(C)(C)n1nnc2CC(CCc12)c1nnc(o1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN5O/c1-18(2,3)24-15-9-6-12(10-14(15)20-23-24)17-22-21-16(25-17)11-4-7-13(19)8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3
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n/an/an/an/a 3.16E+3n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499228
PNG
(CHEMBL3735458)
Show SMILES Fc1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2-c1ccc(F)nc1
Show InChI InChI=1S/C19H14F2N6O/c20-13-4-1-11(2-5-13)18-23-19(28-25-18)12-3-7-16-15(9-12)24-26-27(16)14-6-8-17(21)22-10-14/h1-2,4-6,8,10,12H,3,7,9H2
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n/an/an/an/a<2.51E+4n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499229
PNG
(CHEMBL3735704)
Show SMILES Fc1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2-c1ccc(F)cc1
Show InChI InChI=1S/C20H15F2N5O/c21-14-4-1-12(2-5-14)19-23-20(28-25-19)13-3-10-18-17(11-13)24-26-27(18)16-8-6-15(22)7-9-16/h1-2,4-9,13H,3,10-11H2
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n/an/an/an/a 16n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499232
PNG
(CHEMBL3736066)
Show SMILES CC(C)(C)n1nnc2CC(CCc12)c1nc(no1)C1CCCCC1
Show InChI InChI=1S/C18H27N5O/c1-18(2,3)23-15-10-9-13(11-14(15)20-22-23)17-19-16(21-24-17)12-7-5-4-6-8-12/h12-13H,4-11H2,1-3H3
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n/an/an/an/a 200n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499226
PNG
(CHEMBL3734885)
Show SMILES CC1(CCOCC1)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H22FN5O2/c1-20(8-10-27-11-9-20)26-17-7-4-14(12-16(17)23-25-26)19-22-18(24-28-19)13-2-5-15(21)6-3-13/h2-3,5-6,14H,4,7-12H2,1H3
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n/an/an/an/a 10n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499231
PNG
(CHEMBL3736163)
Show SMILES Cc1ccc(cn1)-c1noc(n1)C1CCc2c(C1)nnn2C(C)(C)C
Show InChI InChI=1S/C18H22N6O/c1-11-5-6-13(10-19-11)16-20-17(25-22-16)12-7-8-15-14(9-12)21-23-24(15)18(2,3)4/h5-6,10,12H,7-9H2,1-4H3
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n/an/an/an/a 1.59E+3n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499222
PNG
(CHEMBL3736277)
Show SMILES CC(C)(C)n1nnc2CC(CCc12)c1nc(Cc2ccc(F)cc2)no1
Show InChI InChI=1S/C19H22FN5O/c1-19(2,3)25-16-9-6-13(11-15(16)22-24-25)18-21-17(23-26-18)10-12-4-7-14(20)8-5-12/h4-5,7-8,13H,6,9-11H2,1-3H3
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n/an/an/an/a 20n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499224
PNG
(CHEMBL3735720)
Show SMILES CC(C)(C#N)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN6O/c1-18(2,10-20)25-15-8-5-12(9-14(15)22-24-25)17-21-16(23-26-17)11-3-6-13(19)7-4-11/h3-4,6-7,12H,5,8-9H2,1-2H3
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n/an/an/an/a 16n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499227
PNG
(CHEMBL3735872)
Show SMILES CC(C)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H18FN5O/c1-10(2)23-15-8-5-12(9-14(15)20-22-23)17-19-16(21-24-17)11-3-6-13(18)7-4-11/h3-4,6-7,10,12H,5,8-9H2,1-2H3
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n/an/an/an/a 398n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499230
PNG
(CHEMBL3736168)
Show SMILES CN(C)c1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2C(C)(C)C
Show InChI InChI=1S/C20H26N6O/c1-20(2,3)26-17-11-8-14(12-16(17)22-24-26)19-21-18(23-27-19)13-6-9-15(10-7-13)25(4)5/h6-7,9-10,14H,8,11-12H2,1-5H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499233
PNG
(CHEMBL3735107)
Show SMILES CN1CCC(CC1)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN6O/c1-26-10-8-16(9-11-26)27-18-7-4-14(12-17(18)23-25-27)20-22-19(24-28-20)13-2-5-15(21)6-3-13/h2-3,5-6,14,16H,4,7-12H2,1H3
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n/an/an/an/a 3.98E+3n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499235
PNG
(CHEMBL3736335)
Show SMILES Fc1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2C1CCOC1
Show InChI InChI=1S/C18H18FN5O2/c19-13-4-1-11(2-5-13)17-20-18(26-22-17)12-3-6-16-15(9-12)21-23-24(16)14-7-8-25-10-14/h1-2,4-5,12,14H,3,6-10H2
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n/an/an/an/a 398n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499225
PNG
(CHEMBL3735762)
Show SMILES CC(C)(C)Cn1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C19H22FN5O/c1-19(2,3)11-25-16-9-6-13(10-15(16)22-24-25)18-21-17(23-26-18)12-4-7-14(20)8-5-12/h4-5,7-8,13H,6,9-11H2,1-3H3
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n/an/an/an/a 32n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499219
PNG
(CHEMBL3735325)
Show SMILES Fc1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2C1CCCC1
Show InChI InChI=1S/C19H20FN5O/c20-14-8-5-12(6-9-14)18-21-19(26-23-18)13-7-10-17-16(11-13)22-24-25(17)15-3-1-2-4-15/h5-6,8-9,13,15H,1-4,7,10-11H2
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n/an/an/an/a 398n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499234
PNG
(CHEMBL3735340)
Show SMILES CC(C)(C)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C19H20N6O/c1-19(2,3)25-16-9-8-14(10-15(16)22-24-25)18-21-17(23-26-18)13-6-4-12(11-20)5-7-13/h4-7,14H,8-10H2,1-3H3
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n/an/an/an/a 79n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499217
PNG
(CHEMBL3736079)
Show SMILES CC(C)Cc1noc(n1)C1CCc2c(C1)nnn2C(C)(C)C
Show InChI InChI=1S/C16H25N5O/c1-10(2)8-14-17-15(22-19-14)11-6-7-13-12(9-11)18-20-21(13)16(3,4)5/h10-11H,6-9H2,1-5H3
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n/an/an/an/a 1.00E+3n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499221
PNG
(CHEMBL3736161)
Show SMILES CC(C)(C)n1nnc2CC(CCc12)c1noc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN5O/c1-18(2,3)24-15-9-6-12(10-14(15)21-23-24)16-20-17(25-22-16)11-4-7-13(19)8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3
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n/an/an/an/a 5n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499216
PNG
(CHEMBL3736345)
Show SMILES CC(C)(C)n1nnc2CC(CCc12)n1cnc(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H21FN6/c1-18(2,3)25-16-9-8-14(10-15(16)21-23-25)24-11-20-17(22-24)12-4-6-13(19)7-5-12/h4-7,11,14H,8-10H2,1-3H3
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n/an/an/an/a 50n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499236
PNG
(CHEMBL3735905)
Show SMILES Fc1ccc(cc1)-c1nc(no1)-c1ccc2n(nnc2c1)C1CCCC1
Show InChI InChI=1S/C19H16FN5O/c20-14-8-5-12(6-9-14)19-21-18(23-26-19)13-7-10-17-16(11-13)22-24-25(17)15-3-1-2-4-15/h5-11,15H,1-4H2
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n/an/an/an/a 398n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499218
PNG
(CHEMBL3735684)
Show SMILES CC(C)(C)n1nnc2CC(CCc12)c1nc(no1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H20FN5O/c1-18(2,3)24-15-9-6-12(10-14(15)21-23-24)17-20-16(22-25-17)11-4-7-13(19)8-5-11/h4-5,7-8,12H,6,9-10H2,1-3H3
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n/an/an/an/a 5n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499219
PNG
(CHEMBL3735325)
Show SMILES Fc1ccc(cc1)-c1noc(n1)C1CCc2c(C1)nnn2C1CCCC1
Show InChI InChI=1S/C19H20FN5O/c20-14-8-5-12(6-9-14)18-21-19(26-23-18)13-7-10-17-16(11-13)22-24-25(17)15-3-1-2-4-15/h5-6,8-9,13,15H,1-4,7,10-11H2
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n/an/an/an/a 398n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50499223
PNG
(CHEMBL3735297)
Show SMILES CC(C)(C)n1nnc2CC(CCc12)c1nc(no1)N1CCOCC1
Show InChI InChI=1S/C16H24N6O2/c1-16(2,3)22-13-5-4-11(10-12(13)18-20-22)14-17-15(19-24-14)21-6-8-23-9-7-21/h11H,4-10H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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UniChem
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n/an/an/an/a 1.26E+3n/an/an/an/a



Eisai Limited

Curated by ChEMBL


Assay Description
Positive allosteric modification of human recombinant mGlu5 receptor expressed in U2OS cells assessed as potentiation of glutamate-induced Ca2+ flux ...

Bioorg Med Chem Lett 25: 5792-6 (2015)


Article DOI: 10.1016/j.bmcl.2015.10.050
BindingDB Entry DOI: 10.7270/Q22B920X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%