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Compile Data Set for Download or QSAR

Found 109 hits with Last Name = 'osterlund' and Initial = 'k'   
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))
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))
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
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))
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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n/an/a 36n/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))
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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n/an/a 43n/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))
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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n/an/a 59n/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))
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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n/an/a 77n/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))
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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n/an/a 78n/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))
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
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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n/an/a 83n/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))
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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n/an/a 101n/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))
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))
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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191130
PNG
(3-chloro-N-(3-(6-methylpyridin-2-yl)prop-2-ynyl)be...)
Show SMILES Cc1cccc(n1)C#CCNc1cccc(Cl)c1
Show InChI InChI=1S/C15H13ClN2/c1-12-5-2-7-14(18-12)9-4-10-17-15-8-3-6-13(16)11-15/h2-3,5-8,11,17H,10H2,1H3
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n/an/a 174n/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


(Rattus norvegicus (Rat))
BDBM50179654
PNG
(1-(3-chlorophenyl)-3-(1-ethyl-4-oxoimidazolidin-2-...)
Show SMILES CCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C12H13ClN4O2/c1-2-17-7-10(18)15-11(17)16-12(19)14-9-5-3-4-8(13)6-9/h3-7,18H,2H2,1H3,(H2,14,15,16,19)
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n/an/a 180n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182813
PNG
(2-(pyridin-2-yl)-4-(4-(trifluoromethyl)phenylthio)...)
Show SMILES FC(F)(F)c1ccc(Sc2ccnc(n2)-c2ccccn2)cc1
Show InChI InChI=1S/C16H10F3N3S/c17-16(18,19)11-4-6-12(7-5-11)23-14-8-10-21-15(22-14)13-3-1-2-9-20-13/h1-10H
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n/an/a 210n/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))
BDBM50191131
PNG
(CHEMBL214823 | N-(3-(6-methylpyridin-2-yl)prop-2-y...)
Show SMILES Cc1cccc(n1)C#CCNc1ccccc1
Show InChI InChI=1S/C15H14N2/c1-13-7-5-10-15(17-13)11-6-12-16-14-8-3-2-4-9-14/h2-5,7-10,16H,12H2,1H3
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n/an/a 223n/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))
BDBM50179654
PNG
(1-(3-chlorophenyl)-3-(1-ethyl-4-oxoimidazolidin-2-...)
Show SMILES CCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C12H13ClN4O2/c1-2-17-7-10(18)15-11(17)16-12(19)14-9-5-3-4-8(13)6-9/h3-7,18H,2H2,1H3,(H2,14,15,16,19)
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n/an/a 250n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191123
PNG
(2-methyl-6-(5-phenylpent-1-ynyl)pyridine | CHEMBL3...)
Show SMILES Cc1cccc(n1)C#CCCCc1ccccc1
Show InChI InChI=1S/C17H17N/c1-15-9-8-14-17(18-15)13-7-3-6-12-16-10-4-2-5-11-16/h2,4-5,8-11,14H,3,6,12H2,1H3
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n/an/a 258n/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))
BDBM50179643
PNG
(1-(3-chlorophenyl)-3-(3-methylthiazolidin-2-yliden...)
Show SMILES CN1CCSC1=NC(=O)Nc1cccc(Cl)c1 |w:6.7|
Show InChI InChI=1S/C11H12ClN3OS/c1-15-5-6-17-11(15)14-10(16)13-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H,13,16)
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AstraZeneca R&D

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191118
PNG
(2-(3-(3-chlorophenoxy)but-1-ynyl)-6-methylpyridine...)
Show SMILES CC(Oc1cccc(Cl)c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C16H14ClNO/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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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))
BDBM50191148
PNG
(2-(3-fluoro-5-(3-(pyridin-2-yl)prop-2-ynyloxy)phen...)
Show SMILES CCC([O-])(C[O-])c1cc(F)cc(OCC#Cc2ccccn2)c1
Show InChI InChI=1S/C18H16FNO3/c1-2-18(22,13-21)14-10-15(19)12-17(11-14)23-9-5-7-16-6-3-4-8-20-16/h3-4,6,8,10-12H,2,9,13H2,1H3/q-2
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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))
BDBM50191113
PNG
(2-(2-(benzo[b]thiophen-2-yl)ethynyl)-6-methylpyrid...)
Show SMILES Cc1cccc(n1)C#Cc1cc2ccccc2s1
Show InChI InChI=1S/C16H11NS/c1-12-5-4-7-14(17-12)9-10-15-11-13-6-2-3-8-16(13)18-15/h2-8,11H,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))
BDBM50182822
PNG
(4-(4-chlorophenylthio)-2-(pyridin-2-yl)pyrimidine ...)
Show SMILES Clc1ccc(Sc2ccnc(n2)-c2ccccn2)cc1
Show InChI InChI=1S/C15H10ClN3S/c16-11-4-6-12(7-5-11)20-14-8-10-18-15(19-14)13-3-1-2-9-17-13/h1-10H
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n/an/a 320n/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


(Rattus norvegicus (Rat))
BDBM50179642
PNG
(1-(3-chlorophenyl)-3-(1-ethyl-5-methyl-4-oxoimidaz...)
Show SMILES CCn1c(C)c(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H15ClN4O2/c1-3-18-8(2)11(19)16-12(18)17-13(20)15-10-6-4-5-9(14)7-10/h4-7,19H,3H2,1-2H3,(H2,15,16,17,20)
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AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM86716
PNG
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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AstraZeneca R&D

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50179667
PNG
(1-(3-bromophenyl)-3-(1-methyl-4-oxoimidazolidin-2-...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Br)c1
Show InChI InChI=1S/C11H11BrN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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AstraZeneca R&D

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182819
PNG
(4-(3,4-dichlorophenylthio)-2-(6-methylpyridin-2-yl...)
Show SMILES Cc1cccc(n1)-c1nccc(Sc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C16H11Cl2N3S/c1-10-3-2-4-14(20-10)16-19-8-7-15(21-16)22-11-5-6-12(17)13(18)9-11/h2-9H,1H3
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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))
BDBM50191142
PNG
(2-(3-(3-methoxyphenoxy)prop-1-ynyl)-6-methylpyridi...)
Show SMILES COc1cccc(OCC#Cc2cccc(C)n2)c1
Show InChI InChI=1S/C16H15NO2/c1-13-6-3-7-14(17-13)8-5-11-19-16-10-4-9-15(12-16)18-2/h3-4,6-7,9-10,12H,11H2,1-2H3
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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))
BDBM50179642
PNG
(1-(3-chlorophenyl)-3-(1-ethyl-5-methyl-4-oxoimidaz...)
Show SMILES CCn1c(C)c(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C13H15ClN4O2/c1-3-18-8(2)11(19)16-12(18)17-13(20)15-10-6-4-5-9(14)7-10/h4-7,19H,3H2,1-2H3,(H2,15,16,17,20)
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AstraZeneca R&D

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191161
PNG
(2-methyl-6-(3-(3-nitrophenoxy)prop-1-ynyl)pyridine...)
Show SMILES Cc1cccc(n1)C#CCOc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H12N2O3/c1-12-5-2-6-13(16-12)7-4-10-20-15-9-3-8-14(11-15)17(18)19/h2-3,5-6,8-9,11H,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))
BDBM50191145
PNG
(2-(3-(4-methoxyphenoxy)prop-1-ynyl)-6-methylpyridi...)
Show SMILES COc1ccc(OCC#Cc2cccc(C)n2)cc1
Show InChI InChI=1S/C16H15NO2/c1-13-5-3-6-14(17-13)7-4-12-19-16-10-8-15(18-2)9-11-16/h3,5-6,8-11H,12H2,1-2H3
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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


(Rattus norvegicus (Rat))
BDBM86716
PNG
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191119
PNG
(2-(3-(3-chlorophenylthio)-4-methylpent-1-ynyl)-6-m...)
Show SMILES CC(C)C(Sc1cccc(Cl)c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C18H18ClNS/c1-13(2)18(21-17-9-5-7-15(19)12-17)11-10-16-8-4-6-14(3)20-16/h4-9,12-13,18H,1-3H3
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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))
BDBM50179645
PNG
(1-(3-chlorophenyl)-3-(1,5-dimethyl-4-oxoimidazolid...)
Show SMILES Cc1c(O)nc(NC(=O)Nc2cccc(Cl)c2)n1C
Show InChI InChI=1S/C12H13ClN4O2/c1-7-10(18)15-11(17(7)2)16-12(19)14-9-5-3-4-8(13)6-9/h3-6,18H,1-2H3,(H2,14,15,16,19)
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AstraZeneca R&D

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182816
PNG
(2-(pyridin-2-yl)-4-(3-(trifluoromethyl)phenylthio)...)
Show SMILES FC(F)(F)c1cccc(Sc2ccnc(n2)-c2ccccn2)c1
Show InChI InChI=1S/C16H10F3N3S/c17-16(18,19)11-4-3-5-12(10-11)23-14-7-9-21-15(22-14)13-6-1-2-8-20-13/h1-10H
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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))
BDBM50179669
PNG
(1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-m-tolyl...)
Show SMILES Cc1cccc(NC(=O)Nc2nc(O)cn2C)c1
Show InChI InChI=1S/C12H14N4O2/c1-8-4-3-5-9(6-8)13-12(18)15-11-14-10(17)7-16(11)2/h3-7,17H,1-2H3,(H2,13,14,15,18)
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AstraZeneca R&D

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191120
PNG
(2-methyl-6-(3-(phenylthio)prop-1-ynyl)pyridine | C...)
Show SMILES Cc1cccc(n1)C#CCSc1ccccc1
Show InChI InChI=1S/C15H13NS/c1-13-7-5-8-14(16-13)9-6-12-17-15-10-3-2-4-11-15/h2-5,7-8,10-11H,12H2,1H3
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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))
BDBM50179641
PNG
(1-(3-chlorophenyl)-3-(1-methylpyrrolidin-2-ylidene...)
Show SMILES CN1CCCC1=NC(=O)Nc1cccc(Cl)c1 |w:6.7|
Show InChI InChI=1S/C12H14ClN3O/c1-16-7-3-6-11(16)15-12(17)14-10-5-2-4-9(13)8-10/h2,4-5,8H,3,6-7H2,1H3,(H,14,17)
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AstraZeneca R&D

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182809
PNG
(4-(3-chlorophenylthio)-2-(pyridin-2-yl)pyrimidine ...)
Show SMILES Clc1cccc(Sc2ccnc(n2)-c2ccccn2)c1
Show InChI InChI=1S/C15H10ClN3S/c16-11-4-3-5-12(10-11)20-14-7-9-18-15(19-14)13-6-1-2-8-17-13/h1-10H
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n/an/a 620n/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))
BDBM50179646
PNG
(1-(1-butyl-4-oxoimidazolidin-2-ylidene)-3-(3-chlor...)
Show SMILES CCCCn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C14H17ClN4O2/c1-2-3-7-19-9-12(20)17-13(19)18-14(21)16-11-6-4-5-10(15)8-11/h4-6,8-9,20H,2-3,7H2,1H3,(H2,16,17,18,21)
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n/an/a 680n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191114
PNG
(3-chloro-N-(4-(6-methylpyridin-2-yl)but-3-yn-2-yl)...)
Show SMILES CC(Nc1cccc(Cl)c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C16H15ClN2/c1-12-5-3-7-15(18-12)10-9-13(2)19-16-8-4-6-14(17)11-16/h3-8,11,13,19H,1-2H3
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n/an/a 709n/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))
BDBM50179640
PNG
(1-(3-chlorophenyl)-3-(1-oxo-hexahydropyrrolo[1,2-e...)
Show SMILES Oc1nc(NC(=O)Nc2cccc(Cl)c2)n2CCCc12
Show InChI InChI=1S/C13H13ClN4O2/c14-8-3-1-4-9(7-8)15-13(20)17-12-16-11(19)10-5-2-6-18(10)12/h1,3-4,7,19H,2,5-6H2,(H2,15,16,17,20)
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n/an/a 800n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


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


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50191162
PNG
(4-(3-(6-methylpyridin-2-yl)prop-2-ynyloxy)quinolin...)
Show SMILES Cc1cccc(n1)C#CCOc1cc(=O)[nH]c2ccccc12
Show InChI InChI=1S/C18H14N2O2/c1-13-6-4-7-14(19-13)8-5-11-22-17-12-18(21)20-16-10-3-2-9-15(16)17/h2-4,6-7,9-10,12H,11H2,1H3,(H,20,21)
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n/an/a 825n/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))
BDBM50191122
PNG
(2-(3-(3-chlorophenylthio)pent-1-ynyl)-6-methylpyri...)
Show SMILES CCC(Sc1cccc(Cl)c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C17H16ClNS/c1-3-16(20-17-9-5-7-14(18)12-17)11-10-15-8-4-6-13(2)19-15/h4-9,12,16H,3H2,1-2H3
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n/an/a 862n/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


(Rattus norvegicus (Rat))
BDBM50179643
PNG
(1-(3-chlorophenyl)-3-(3-methylthiazolidin-2-yliden...)
Show SMILES CN1CCSC1=NC(=O)Nc1cccc(Cl)c1 |w:6.7|
Show InChI InChI=1S/C11H12ClN3OS/c1-15-5-6-17-11(15)14-10(16)13-9-4-2-3-8(12)7-9/h2-4,7H,5-6H2,1H3,(H,13,16)
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n/an/a 1.20E+3n/an/an/an/an/an/a



AstraZeneca R&D

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5d in rat brain membrane


Bioorg Med Chem Lett 16: 1142-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.092
BindingDB Entry DOI: 10.7270/Q2697348
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50182814
PNG
(4-(4-chlorophenylthio)-6-methyl-2-(pyridin-2-yl)py...)
Show SMILES Cc1cc(Sc2ccc(Cl)cc2)nc(n1)-c1ccccn1
Show InChI InChI=1S/C16H12ClN3S/c1-11-10-15(21-13-7-5-12(17)6-8-13)20-16(19-11)14-4-2-3-9-18-14/h2-10H,1H3
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n/an/a 1.25E+3n/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
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