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PubMed code 25017030

Compile data set for download or QSAR
Found 17 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
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50050071
PNG
(CHEMBL3317729)
Show SMILES Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H11Cl2NO2S2/c20-13-5-3-12(4-6-13)17-16-2-1-11-22-18(16)25-19(17)26(23,24)15-9-7-14(21)8-10-15/h1-11H
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12n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membrane preparation


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50050067
PNG
(CHEMBL3317720)
Show SMILES Fc1ccc(COC(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H13ClFNO2S/c22-15-7-5-14(6-8-15)18-17-2-1-11-24-20(17)27-19(18)21(25)26-12-13-3-9-16(23)10-4-13/h1-11H,12H2
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41n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membrane preparation


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50050070
PNG
(CHEMBL3317727)
Show SMILES Fc1ccc(CC(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H13ClFNOS/c22-15-7-5-14(6-8-15)19-17-2-1-11-24-21(17)26-20(19)18(25)12-13-3-9-16(23)10-4-13/h1-11H,12H2
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83n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membrane preparation


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50050069
PNG
(CHEMBL3317726)
Show SMILES Fc1ccc(CC(=O)c2sc3ncccc3c2-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H13F2NOS/c22-15-7-3-13(4-8-15)12-18(25)20-19(14-5-9-16(23)10-6-14)17-2-1-11-24-21(17)26-20/h1-11H,12H2
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140n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membrane preparation


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50050066
PNG
(CHEMBL3317710)
Show SMILES Fc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H15F2NOS/c23-16-8-3-14(4-9-16)5-12-19(26)21-20(15-6-10-17(24)11-7-15)18-2-1-13-25-22(18)27-21/h1-4,6-11,13H,5,12H2
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180n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membrane preparation


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50050065
PNG
(CHEMBL3317709)
Show SMILES Fc1ccc(cc1)-c1c(sc2ncccc12)C(=O)CCc1cccc(F)c1
Show InChI InChI=1S/C22H15F2NOS/c23-16-9-7-15(8-10-16)20-18-5-2-12-25-22(18)27-21(20)19(26)11-6-14-3-1-4-17(24)13-14/h1-5,7-10,12-13H,6,11H2
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224n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membrane preparation


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50050068
PNG
(CHEMBL3317721)
Show SMILES Fc1ccc(CNC(=O)c2sc3ncccc3c2-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H14F2N2OS/c22-15-7-3-13(4-8-15)12-25-20(26)19-18(14-5-9-16(23)10-6-14)17-2-1-11-24-21(17)27-19/h1-11H,12H2,(H,25,26)
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311n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membrane preparation


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50049951
PNG
(CHEMBL3317708)
Show SMILES Fc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1
Show InChI InChI=1S/C22H16FNOS/c23-17-11-8-15(9-12-17)10-13-19(25)21-20(16-5-2-1-3-6-16)18-7-4-14-24-22(18)26-21/h1-9,11-12,14H,10,13H2
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343n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membrane preparation


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50049953
PNG
(CHEMBL3317706)
Show SMILES O=C(CCc1ccccc1)c1sc2ncccc2c1-c1ccccc1
Show InChI InChI=1S/C22H17NOS/c24-19(14-13-16-8-3-1-4-9-16)21-20(17-10-5-2-6-11-17)18-12-7-15-23-22(18)25-21/h1-12,15H,13-14H2
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730n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membrane preparation


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50049952
PNG
(CHEMBL3317707)
Show SMILES COc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1
Show InChI InChI=1S/C23H19NO2S/c1-26-18-12-9-16(10-13-18)11-14-20(25)22-21(17-6-3-2-4-7-17)19-8-5-15-24-23(19)27-22/h2-10,12-13,15H,11,14H2,1H3
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2.50E+3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membrane preparation


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50050071
PNG
(CHEMBL3317729)
Show SMILES Clc1ccc(cc1)-c1c(sc2ncccc12)S(=O)(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C19H11Cl2NO2S2/c20-13-5-3-12(4-6-13)17-16-2-1-11-22-18(16)25-19(17)26(23,24)15-9-7-14(21)8-10-15/h1-11H
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n/an/a 46n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of mGluR5 in rat embryo neuronal culture assessed as calcium level by Fluo-4/AM dye based fluorometry


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50050067
PNG
(CHEMBL3317720)
Show SMILES Fc1ccc(COC(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H13ClFNO2S/c22-15-7-5-14(6-8-15)18-17-2-1-11-24-20(17)27-19(18)21(25)26-12-13-3-9-16(23)10-4-13/h1-11H,12H2
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n/an/a 150n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of mGluR5 in rat embryo neuronal culture assessed as calcium level by Fluo-4/AM dye based fluorometry


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50050070
PNG
(CHEMBL3317727)
Show SMILES Fc1ccc(CC(=O)c2sc3ncccc3c2-c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H13ClFNOS/c22-15-7-5-14(6-8-15)19-17-2-1-11-24-21(17)26-20(19)18(25)12-13-3-9-16(23)10-4-13/h1-11H,12H2
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n/an/a 350n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of mGluR5 in rat embryo neuronal culture assessed as calcium level by Fluo-4/AM dye based fluorometry


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50050066
PNG
(CHEMBL3317710)
Show SMILES Fc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C22H15F2NOS/c23-16-8-3-14(4-9-16)5-12-19(26)21-20(15-6-10-17(24)11-7-15)18-2-1-13-25-22(18)27-21/h1-4,6-11,13H,5,12H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of mGluR5 in rat embryo neuronal culture assessed as calcium level by Fluo-4/AM dye based fluorometry


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50049951
PNG
(CHEMBL3317708)
Show SMILES Fc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1
Show InChI InChI=1S/C22H16FNOS/c23-17-11-8-15(9-12-17)10-13-19(25)21-20(16-5-2-1-3-6-16)18-7-4-14-24-22(18)26-21/h1-9,11-12,14H,10,13H2
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n/an/a 2.10E+3n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of mGluR5 in rat embryo neuronal culture assessed as calcium level by Fluo-4/AM dye based fluorometry


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50049953
PNG
(CHEMBL3317706)
Show SMILES O=C(CCc1ccccc1)c1sc2ncccc2c1-c1ccccc1
Show InChI InChI=1S/C22H17NOS/c24-19(14-13-16-8-3-1-4-9-16)21-20(17-10-5-2-6-11-17)18-12-7-15-23-22(18)25-21/h1-12,15H,13-14H2
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n/an/a 3.30E+3n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of mGluR5 in rat embryo neuronal culture assessed as calcium level by Fluo-4/AM dye based fluorometry


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50049952
PNG
(CHEMBL3317707)
Show SMILES COc1ccc(CCC(=O)c2sc3ncccc3c2-c2ccccc2)cc1
Show InChI InChI=1S/C23H19NO2S/c1-26-18-12-9-16(10-13-18)11-14-20(25)22-21(17-6-3-2-4-7-17)19-8-5-15-24-23(19)27-22/h2-10,12-13,15H,11,14H2,1H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Inhibition of mGluR5 in rat embryo neuronal culture assessed as calcium level by Fluo-4/AM dye based fluorometry


Bioorg Med Chem Lett 24: 3845-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.057
BindingDB Entry DOI: 10.7270/Q2HH6MR1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%