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Compile Data Set for Download or QSAR

Found 10 hits of kd data for polymerid = 50006817,5746,5747,8276   
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


(Rattus norvegicus (Rat))
BDBM50318382
PNG
(3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...)
Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12|
Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+
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n/an/an/a 0.600n/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 ligand binding site 1 in Sprague-Dawley rat brain P2 membrane after 45 mins by gamma counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
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/an/a 2.25n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST by scintillation counting


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))
BDBM50198702
PNG
((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...)
Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7|
Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+
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n/an/an/a 2.30n/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Binding affinity at mGluR5 in rat brain membrane


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
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/an/a 3.80n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in absence of MPEP


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/an/a 5.5n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in presence of 10 nM MPEP


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/an/a 7.20n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST after 1 hr by scintillation counter in presence of 20 nM MPEP


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))
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/an/a 8.60n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5 expressed in HEK293 cell membranes expressing GLAST by scintillation counting


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/an/a 9.40n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 in Sprague-Dawley rat striatum after 60 mins 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


(Rattus norvegicus (Rat))
BDBM50318382
PNG
(3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...)
Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12|
Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+
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n/an/an/a 13.7n/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 ligand binding site 2 in Sprague-Dawley rat brain P2 membrane after 45 mins by gamma counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50395544
PNG
(CHEMBL2164788)
Show SMILES CCO\N=C1/C=C(CCC1F)C#Cc1ccccn1 |c:5|
Show InChI InChI=1S/C15H15FN2O/c1-2-19-18-15-11-12(7-9-14(15)16)6-8-13-5-3-4-10-17-13/h3-5,10-11,14H,2,7,9H2,1H3/b18-15+
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n/an/an/a 70n/an/an/an/an/a



Institute of Technology (ETH) Zurich

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5 receptor in Sprague-Dawley rat brain by beta counting


J Med Chem 55: 7154-62 (2012)


Article DOI: 10.1021/jm300648b
BindingDB Entry DOI: 10.7270/Q2ST7QZX
More data for this
Ligand-Target Pair