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Compile Data Set for Download or QSAR

Found 19 hits Enz. Inhib. hit(s) with all data for entry = 50018090   
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))
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))
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))
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


(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))
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))
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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n/an/a 281n/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))
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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n/an/a 306n/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))
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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n/an/a 461n/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))
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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n/an/a 589n/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))
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))
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


(Homo sapiens (Human))
BDBM50191126
PNG
(3-chloro-N-(3-(6-methylpyridin-2-yl)prop-2-ynyl)be...)
Show SMILES Cc1cccc(n1)C#CCNC(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C16H13ClN2O/c1-12-5-2-8-15(19-12)9-4-10-18-16(20)13-6-3-7-14(17)11-13/h2-3,5-8,11H,10H2,1H3,(H,18,20)
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n/an/a 2.61E+3n/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))
BDBM50191125
PNG
(CHEMBL214875 | N-methyl-N-(3-(6-methylpyridin-2-yl...)
Show SMILES CN(CC#Cc1cccc(C)n1)c1ccccc1
Show InChI InChI=1S/C16H16N2/c1-14-8-6-9-15(17-14)10-7-13-18(2)16-11-4-3-5-12-16/h3-6,8-9,11-12H,13H2,1-2H3
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n/an/a 6.73E+3n/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))
BDBM50191128
PNG
(3-(6-methylpyridin-2-yl)-N-phenylpropiolamide | CH...)
Show SMILES Cc1cccc(n1)C#CC(=O)Nc1ccccc1
Show InChI InChI=1S/C15H12N2O/c1-12-6-5-9-14(16-12)10-11-15(18)17-13-7-3-2-4-8-13/h2-9H,1H3,(H,17,18)
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n/an/a>1.00E+4n/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))
BDBM50191121
PNG
(2-methyl-6-(3-(phenylsulfinyl)prop-1-ynyl)pyridine...)
Show SMILES Cc1cccc(n1)C#CCS(=O)c1ccccc1
Show InChI InChI=1S/C15H13NOS/c1-13-7-5-8-14(16-13)9-6-12-18(17)15-10-3-2-4-11-15/h2-5,7-8,10-11H,12H2,1H3
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n/an/a>1.00E+4n/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))
BDBM50191115
PNG
(1-(3-chlorophenyl)-3-(3-(6-methylpyridin-2-yl)prop...)
Show SMILES Cc1cccc(n1)C#CCNC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C16H14ClN3O/c1-12-5-2-7-14(19-12)9-4-10-18-16(21)20-15-8-3-6-13(17)11-15/h2-3,5-8,11H,10H2,1H3,(H2,18,20,21)
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n/an/a>1.00E+4n/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