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Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'wensbo' and Initial = 'd'   
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 5


(Homo sapiens (Human))
BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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17.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]AZD9272 from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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28n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50395923
PNG
(CHEMBL2164550)
Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
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n/an/a 2.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracellu...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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n/an/a 3.20n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracellu...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191127
PNG
(2-(4-(3-chlorophenyl)but-1-ynyl)-6-methylpyridine ...)
Show SMILES Cc1cccc(n1)C#CCCc1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClN/c1-13-6-4-11-16(18-13)10-3-2-7-14-8-5-9-15(17)12-14/h4-6,8-9,11-12H,2,7H2,1H3
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n/an/a 5n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395923
PNG
(CHEMBL2164550)
Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
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n/an/a 7.60n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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n/an/a 13.4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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n/an/a 14.5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]AZD9272 from mGluR5 in Sprague-Dawley rat striatum by autoradiographic analysis


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191139
PNG
(2-(3-(3,4-dichlorophenoxy)prop-1-ynyl)-6-methylpyr...)
Show SMILES Cc1cccc(n1)C#CCOc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H11Cl2NO/c1-11-4-2-5-12(18-11)6-3-9-19-13-7-8-14(16)15(17)10-13/h2,4-5,7-8,10H,9H2,1H3
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n/an/a 15n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481928
PNG
(CHEMBL1744460)
Show SMILES [3H]C([3H])([3H])N(c1ccc(cn1)-c1nc2ccc(O)cc2s1)C([3H])([3H])[3H]
Show InChI InChI=1S/C14H13N3OS/c1-17(2)13-6-3-9(8-15-13)14-16-11-5-4-10(18)7-12(11)19-14/h3-8,18H,1-2H3
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n/an/a 19n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 22n/an/an/an/an/an/a



NPS-Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395942
PNG
(CHEMBL2164545)
Show SMILES Fc1cc(cc(c1)-c1nc(co1)-c1ccccn1)C#N
Show InChI InChI=1S/C15H8FN3O/c16-12-6-10(8-17)5-11(7-12)15-19-14(9-20-15)13-3-1-2-4-18-13/h1-7,9H
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n/an/a 22n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395941
PNG
(CHEMBL2164546)
Show SMILES Fc1cc(cc(c1)-c1noc(n1)-c1ccccn1)C#N
Show InChI InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)13-18-14(20-19-13)12-3-1-2-4-17-12/h1-7H
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n/an/a 23n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50395937
PNG
(CHEMBL2164538)
Show SMILES Cc1nc(cs1)-c1cccnc1
Show InChI InChI=1S/C9H8N2S/c1-7-11-9(6-12-7)8-3-2-4-10-5-8/h2-6H,1H3
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n/an/a 24n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]AZD9272 from mGluR5 in Sprague-Dawley rat striatum by autoradiographic analysis


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395943
PNG
(CHEMBL2164544)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccccn1)C#N
Show InChI InChI=1S/C14H7FN4O/c15-11-6-9(8-16)5-10(7-11)14-18-13(19-20-14)12-3-1-2-4-17-12/h1-7H
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n/an/a 25n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395923
PNG
(CHEMBL2164550)
Show SMILES Fc1ccc(nc1)-c1noc(n1)-c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C14H6F2N4O/c15-10-1-2-12(18-7-10)13-19-14(21-20-13)9-3-8(6-17)4-11(16)5-9/h1-5,7H
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n/an/a 26n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of glutamate-stimulated ...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50129793
PNG
(2-(4''-methylaminophenyl)-6-hydroxybenzothiazole |...)
Show SMILES CNc1ccc(cc1)-c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3
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n/an/a 27n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481937
PNG
(CHEMBL1084946)
Show SMILES COc1ccc2cc(oc2c1)-c1ccc(cn1)C(N)=O
Show InChI InChI=1S/C15H12N2O3/c1-19-11-4-2-9-6-14(20-13(9)7-11)12-5-3-10(8-17-12)15(16)18/h2-8H,1H3,(H2,16,18)
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n/an/a 33n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481931
PNG
(CHEMBL1077208)
Show SMILES CNc1ccc2nc(sc2c1)-c1ccc(nc1)C(N)=O
Show InChI InChI=1S/C14H12N4OS/c1-16-9-3-5-10-12(6-9)20-14(18-10)8-2-4-11(13(15)19)17-7-8/h2-7,16H,1H3,(H2,15,19)
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n/an/a 35n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191149
PNG
(2-methyl-6-(3-(5,6,7,8-tetrahydronaphthalen-2-ylox...)
Show SMILES Cc1cccc(n1)C#CCOc1ccc2CCCCc2c1
Show InChI InChI=1S/C19H19NO/c1-15-6-4-9-18(20-15)10-5-13-21-19-12-11-16-7-2-3-8-17(16)14-19/h4,6,9,11-12,14H,2-3,7-8,13H2,1H3
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AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481929
PNG
(CHEMBL1088617)
Show SMILES CN(C)c1ncc(cn1)-c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C13H12N4OS/c1-17(2)13-14-6-8(7-15-13)12-16-10-4-3-9(18)5-11(10)19-12/h3-7,18H,1-2H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50151909
PNG
(3-(3-Pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-benzonitr...)
Show SMILES N#Cc1cccc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C14H8N4O/c15-9-10-4-3-5-11(8-10)14-17-13(18-19-14)12-6-1-2-7-16-12/h1-8H
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AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191116
PNG
(2-(3-(3-chlorophenylthio)prop-1-ynyl)-6-methylpyri...)
Show SMILES Cc1cccc(n1)C#CCSc1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClNS/c1-12-5-2-7-14(17-12)8-4-10-18-15-9-3-6-13(16)11-15/h2-3,5-7,9,11H,10H2,1H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481936
PNG
(CHEMBL1084943)
Show SMILES CNc1ccc(cn1)-c1cc2ccc(O)cc2o1
Show InChI InChI=1S/C14H12N2O2/c1-15-14-5-3-10(8-16-14)12-6-9-2-4-11(17)7-13(9)18-12/h2-8,17H,1H3,(H,15,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395922
PNG
(CHEMBL2164552)
Show SMILES Fc1cc(cc(c1)-c1nc(no1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C15H6FN5O/c16-12-4-10(7-18)3-11(5-12)15-20-14(21-22-15)13-2-1-9(6-17)8-19-13/h1-5,8H
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AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of glutamate-stimulated ...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481940
PNG
(CHEMBL1744459)
Show SMILES [3H]N(c1ccc(cn1)-c1nc2ccc(OC)cc2s1)C([3H])([3H])[3H]
Show InChI InChI=1S/C14H13N3OS/c1-15-13-6-3-9(8-16-13)14-17-11-5-4-10(18-2)7-12(11)19-14/h3-8H,1-2H3,(H,15,16)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481119
PNG
(AZD-2184 | CHEMBL570378)
Show SMILES CNc1ccc(cn1)-c1nc2ccc(O)cc2s1
Show InChI InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-4-3-9(17)6-11(10)18-13/h2-7,17H,1H3,(H,14,15)
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n/an/a 58n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191124
PNG
(2-methyl-6-(4-phenylpent-1-ynyl)pyridine | CHEMBL2...)
Show SMILES CC(CC#Cc1cccc(C)n1)c1ccccc1
Show InChI InChI=1S/C17H17N/c1-14(16-10-4-3-5-11-16)8-6-12-17-13-7-9-15(2)18-17/h3-5,7,9-11,13-14H,8H2,1-2H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481944
PNG
(CHEMBL1084945)
Show SMILES COc1ccc2cc(oc2c1)-c1ccc(nc1)C(N)=O
Show InChI InChI=1S/C15H12N2O3/c1-19-11-4-2-9-6-13(20-14(9)7-11)10-3-5-12(15(16)18)17-8-10/h2-8H,1H3,(H2,16,18)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395940
PNG
(CHEMBL2164547)
Show SMILES Fc1cc(cc(c1)-c1ccc(o1)-c1ccccn1)C#N
Show InChI InChI=1S/C16H9FN2O/c17-13-8-11(10-18)7-12(9-13)15-4-5-16(20-15)14-3-1-2-6-19-14/h1-9H
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AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481939
PNG
(CHEMBL1084944)
Show SMILES CNc1ccc(cn1)-c1cc2ccc(OC)cc2o1
Show InChI InChI=1S/C15H14N2O2/c1-16-15-6-4-11(9-17-15)13-7-10-3-5-12(18-2)8-14(10)19-13/h3-9H,1-2H3,(H,16,17)
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n/an/a 66n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481941
PNG
(CHEMBL1082546)
Show SMILES CNc1ccc(cn1)-c1nc2cc(O)ccc2s1
Show InChI InChI=1S/C13H11N3OS/c1-14-12-5-2-8(7-15-12)13-16-10-6-9(17)3-4-11(10)18-13/h2-7,17H,1H3,(H,14,15)
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n/an/a 74n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481935
PNG
(CHEMBL1744464)
Show SMILES [3H]C([3H])([3H])N(c1ncc(cn1)-c1nc2ccc(O)cc2o1)C([3H])([3H])[3H]
Show InChI InChI=1S/C13H12N4O2/c1-17(2)13-14-6-8(7-15-13)12-16-10-4-3-9(18)5-11(10)19-12/h3-7,18H,1-2H3
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n/an/a 75n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50122758
PNG
(2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...)
Show SMILES Cc1nc(cs1)C#Cc1cccnc1
Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
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AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191117
PNG
(2-methyl-6-(4-phenylbut-1-ynyl)pyridine | CHEMBL21...)
Show SMILES Cc1cccc(n1)C#CCCc1ccccc1
Show InChI InChI=1S/C16H15N/c1-14-8-7-13-16(17-14)12-6-5-11-15-9-3-2-4-10-15/h2-4,7-10,13H,5,11H2,1H3
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AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182823
PNG
(4-(3,4-dichlorophenylthio)-2-(5-fluoropyridin-2-yl...)
Show SMILES Fc1ccc(nc1)-c1nccc(Sc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C15H8Cl2FN3S/c16-11-3-2-10(7-12(11)17)22-14-5-6-19-15(21-14)13-4-1-9(18)8-20-13/h1-8H
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n/an/a 80n/an/an/an/an/an/a



NPS-Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481945
PNG
(CHEMBL1082545)
Show SMILES COc1ccc2nc(sc2c1)-c1ccc(nc1)N(C)C
Show InChI InChI=1S/C15H15N3OS/c1-18(2)14-7-4-10(9-16-14)15-17-12-6-5-11(19-3)8-13(12)20-15/h4-9H,1-3H3
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191146
PNG
(2-(3-(4-isopropylphenoxy)prop-1-ynyl)-6-methylpyri...)
Show SMILES CC(C)c1ccc(OCC#Cc2cccc(C)n2)cc1
Show InChI InChI=1S/C18H19NO/c1-14(2)16-9-11-18(12-10-16)20-13-5-8-17-7-4-6-15(3)19-17/h4,6-7,9-12,14H,13H2,1-3H3
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AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481938
PNG
(CHEMBL1087548)
Show SMILES CNc1ccc(cn1)-c1nc2ccc(cc2s1)C(N)=O
Show InChI InChI=1S/C14H12N4OS/c1-16-12-5-3-9(7-17-12)14-18-10-4-2-8(13(15)19)6-11(10)20-14/h2-7H,1H3,(H2,15,19)(H,16,17)
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AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481943
PNG
(CHEMBL1744463)
Show SMILES [3H]C([3H])([3H])N(c1ccc(cn1)-c1nc2ccc(O)cc2o1)C([3H])([3H])[3H]
Show InChI InChI=1S/C14H13N3O2/c1-17(2)13-6-3-9(8-15-13)14-16-11-5-4-10(18)7-12(11)19-14/h3-8,18H,1-2H3
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n/an/a 85n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182811
PNG
(4-(3,4-dichlorophenylthio)-2-(pyridin-2-yl)pyrimid...)
Show SMILES Clc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1Cl
Show InChI InChI=1S/C15H9Cl2N3S/c16-11-5-4-10(9-12(11)17)21-14-6-8-19-15(20-14)13-3-1-2-7-18-13/h1-9H
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n/an/a 90n/an/an/an/an/an/a



NPS-Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced calcium influx in human mGluR5d by FLIPR


Bioorg Med Chem Lett 16: 2467-9 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.100
BindingDB Entry DOI: 10.7270/Q22Z1544
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191157
PNG
(2-(3-(3-chlorophenoxy)prop-1-ynyl)-6-methylpyridin...)
Show SMILES Cc1cccc(n1)C#CCOc1cccc(Cl)c1
Show InChI InChI=1S/C15H12ClNO/c1-12-5-2-7-14(17-12)8-4-10-18-15-9-3-6-13(16)11-15/h2-3,5-7,9,11H,10H2,1H3
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AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191147
PNG
(2-(3-(4-chlorophenoxy)prop-1-ynyl)-6-methylpyridin...)
Show SMILES Cc1cccc(n1)C#CCOc1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClNO/c1-12-4-2-5-14(17-12)6-3-11-18-15-9-7-13(16)8-10-15/h2,4-5,7-10H,11H2,1H3
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n/an/a 102n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191151
PNG
(2-methyl-6-(3-(p-tolyloxy)prop-1-ynyl)pyridine | C...)
Show SMILES Cc1ccc(OCC#Cc2cccc(C)n2)cc1
Show InChI InChI=1S/C16H15NO/c1-13-8-10-16(11-9-13)18-12-4-7-15-6-3-5-14(2)17-15/h3,5-6,8-11H,12H2,1-2H3
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n/an/a 115n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5 assessed as effect on glutamate-induced calcium ion mobilization by FLIPR


Bioorg Med Chem Lett 16: 4792-5 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.079
BindingDB Entry DOI: 10.7270/Q2M32WKC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM38857
PNG
(2-[5-(3-Chloro-phenyl)-[1,2,4]oxadiazol-3-yl]-pyri...)
Show SMILES Clc1cccc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H8ClN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H
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n/an/a 116n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395929
PNG
(CHEMBL2164560)
Show SMILES Brc1cccc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H8BrN3O/c14-10-5-3-4-9(8-10)13-16-12(17-18-13)11-6-1-2-7-15-11/h1-8H
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n/an/a 118n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191129
PNG
(2-(3-(3-chlorophenylthio)but-1-ynyl)-6-methylpyrid...)
Show SMILES CC(Sc1cccc(Cl)c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C16H14ClNS/c1-12-5-3-7-15(18-12)10-9-13(2)19-16-8-4-6-14(17)11-16/h3-8,11,13H,1-2H3
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n/an/a 118n/an/an/an/an/an/a



AstraZeneca R&D Mölndal

Curated by ChEMBL


Assay Description
Activity at human mGluR5d assessed as inhibition of glutamate-induced calcium influx by FLIPR assay


Bioorg Med Chem Lett 16: 4788-91 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.078
BindingDB Entry DOI: 10.7270/Q2VX0G48
More data for this
Ligand-Target Pair
Amyloid-beta precursor protein


(Homo sapiens (Human))
BDBM50481934
PNG
(CHEMBL1083207)
Show SMILES CN(C)c1ccc(cn1)-c1nc2cc(O)ccc2o1
Show InChI InChI=1S/C14H13N3O2/c1-17(2)13-6-3-9(8-15-13)14-16-11-7-10(18)4-5-12(11)19-14/h3-8,18H,1-2H3
PDB
MMDB

Reactome pathway
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n/an/a 137n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]PIB from human amyloid beta (1 to 40) after 30 mins by liquid scintillation counting


Bioorg Med Chem Lett 20: 1976-80 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.105
BindingDB Entry DOI: 10.7270/Q2J67KR6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50395936
PNG
(CHEMBL2164553)
Show SMILES Clc1cc(Cl)cc(c1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H7Cl2N3O/c14-9-5-8(6-10(15)7-9)13-17-12(18-19-13)11-3-1-2-4-16-11/h1-7H
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n/an/a 142n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human recombinant mGluR5 expressed in HEK293 cells expressing GLAST assessed as inhibition of DHPG-induced intracel...


Bioorg Med Chem Lett 22: 6974-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.100
BindingDB Entry DOI: 10.7270/Q2BP03WH
More data for this
Ligand-Target Pair
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