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Compile Data Set for Download or QSAR

Found 33 hits from Toray Industries, Inc.   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107587
PNG
(CHEMBL3601910)
Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@@H](CC=C)NC(=O)c2nccs2)cn1
Show InChI InChI=1S/C19H18ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h3,5-11,16H,1,4H2,2H3,(H,23,24)(H,25,26)/t16-/m1/s1
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Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107535
PNG
(CHEMBL3601902)
Show SMILES CC(C)[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C19H20ClN5OS/c1-11(2)16(25-18(26)19-21-6-7-27-19)13-8-15(20)17(23-9-13)24-14-5-4-12(3)22-10-14/h4-11,16H,1-3H3,(H,23,24)(H,25,26)/t16-/m1/s1
PDB
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KEGG

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PubMed
n/an/a 7.5n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107532
PNG
(CHEMBL3601900)
Show SMILES CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C19H20ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t16-/m1/s1
PDB
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KEGG

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B.MOAD
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PC sid
UniChem
Article
PubMed
n/an/a 8.20n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107588
PNG
(CHEMBL3601911)
Show SMILES C\C=C\C[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C20H20ClN5OS/c1-3-4-5-17(26-19(27)20-22-8-9-28-20)14-10-16(21)18(24-11-14)25-15-7-6-13(2)23-12-15/h3-4,6-12,17H,5H2,1-2H3,(H,24,25)(H,26,27)/b4-3+/t17-/m1/s1
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n/an/a 8.80n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107539
PNG
(CHEMBL3601906)
Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCC2)cn1
Show InChI InChI=1S/C20H20ClN5OS/c1-12-5-6-15(11-23-12)25-18-16(21)9-14(10-24-18)17(13-3-2-4-13)26-19(27)20-22-7-8-28-20/h5-11,13,17H,2-4H2,1H3,(H,24,25)(H,26,27)/t17-/m1/s1
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PubMed
n/an/a 9.30n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107538
PNG
(CHEMBL3601905)
Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CC2)cn1
Show InChI InChI=1S/C19H18ClN5OS/c1-11-2-5-14(10-22-11)24-17-15(20)8-13(9-23-17)16(12-3-4-12)25-18(26)19-21-6-7-27-19/h2,5-10,12,16H,3-4H2,1H3,(H,23,24)(H,25,26)/t16-/m1/s1
PDB
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KEGG

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PubMed
n/an/a 9.70n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107424
PNG
(CHEMBL3600421)
Show SMILES CCC[C@@H](NC(=O)c1nc(C)cs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C20H22ClN5OS/c1-4-5-17(26-19(27)20-24-13(3)11-28-20)14-8-16(21)18(23-9-14)25-15-7-6-12(2)22-10-15/h6-11,17H,4-5H2,1-3H3,(H,23,25)(H,26,27)/t17-/m1/s1
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PubMed
n/an/a 10n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107428
PNG
(CHEMBL3600426)
Show SMILES CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(OC)nc2)c(Cl)c1
Show InChI InChI=1S/C19H20ClN5O2S/c1-3-4-15(25-18(26)19-21-7-8-28-19)12-9-14(20)17(23-10-12)24-13-5-6-16(27-2)22-11-13/h5-11,15H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t15-/m1/s1
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PubMed
n/an/a 13n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107429
PNG
(CHEMBL3600427)
Show SMILES CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(F)nc2)c(Cl)c1
Show InChI InChI=1S/C18H17ClFN5OS/c1-2-3-14(25-17(26)18-21-6-7-27-18)11-8-13(19)16(23-9-11)24-12-4-5-15(20)22-10-12/h4-10,14H,2-3H2,1H3,(H,23,24)(H,25,26)/t14-/m1/s1
PDB
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PubMed
n/an/a 13n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107452
PNG
(CHEMBL3601898)
Show SMILES CC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C18H18ClN5OS/c1-3-15(24-17(25)18-20-6-7-26-18)12-8-14(19)16(22-9-12)23-13-5-4-11(2)21-10-13/h4-10,15H,3H2,1-2H3,(H,22,23)(H,24,25)/t15-/m1/s1
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PubMed
n/an/a 15n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107585
PNG
(CHEMBL3601908)
Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCCC2)cn1
Show InChI InChI=1S/C21H22ClN5OS/c1-13-6-7-16(12-24-13)26-19-17(22)10-15(11-25-19)18(14-4-2-3-5-14)27-20(28)21-23-8-9-29-21/h6-12,14,18H,2-5H2,1H3,(H,25,26)(H,27,28)/t18-/m1/s1
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PubMed
n/an/a 17n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107426
PNG
(CHEMBL3600424)
Show SMILES CCC[C@@H](NC(=O)c1cocn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C19H20ClN5O2/c1-3-4-16(25-19(26)17-10-27-11-23-17)13-7-15(20)18(22-8-13)24-14-6-5-12(2)21-9-14/h5-11,16H,3-4H2,1-2H3,(H,22,24)(H,25,26)/t16-/m1/s1
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PubMed
n/an/a 23n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107422
PNG
(CHEMBL3601915)
Show SMILES CCC[C@@H](NC(=O)c1ccccn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C21H22ClN5O/c1-3-6-18(27-21(28)19-7-4-5-10-23-19)15-11-17(22)20(25-12-15)26-16-9-8-14(2)24-13-16/h4-5,7-13,18H,3,6H2,1-2H3,(H,25,26)(H,27,28)/t18-/m1/s1
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PubMed
n/an/a 28n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107435
PNG
(CHEMBL3600433)
Show SMILES CCCC(NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C19H20ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)
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PubMed
n/an/a 29n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107423
PNG
(CHEMBL3600420)
Show SMILES CCC[C@@H](NC(=O)c1cscn1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C19H20ClN5OS/c1-3-4-16(25-19(26)17-10-27-11-23-17)13-7-15(20)18(22-8-13)24-14-6-5-12(2)21-9-14/h5-11,16H,3-4H2,1-2H3,(H,22,24)(H,25,26)/t16-/m1/s1
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PubMed
n/an/a 31n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107537
PNG
(CHEMBL3601904)
Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C(C)(C)C)cn1
Show InChI InChI=1S/C20H22ClN5OS/c1-12-5-6-14(11-23-12)25-17-15(21)9-13(10-24-17)16(20(2,3)4)26-18(27)19-22-7-8-28-19/h5-11,16H,1-4H3,(H,24,25)(H,26,27)/t16-/m0/s1
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PubMed
n/an/a 31n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107534
PNG
(CHEMBL3601901)
Show SMILES CCCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C20H22ClN5OS/c1-3-4-5-17(26-19(27)20-22-8-9-28-20)14-10-16(21)18(24-11-14)25-15-7-6-13(2)23-12-15/h6-12,17H,3-5H2,1-2H3,(H,24,25)(H,26,27)/t17-/m1/s1
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PubMed
n/an/a 31n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
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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Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107586
PNG
(CHEMBL3601909)
Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@H](NC(=O)c2nccs2)C2CCCCC2)cn1
Show InChI InChI=1S/C22H24ClN5OS/c1-14-7-8-17(13-25-14)27-20-18(23)11-16(12-26-20)19(15-5-3-2-4-6-15)28-21(29)22-24-9-10-30-22/h7-13,15,19H,2-6H2,1H3,(H,26,27)(H,28,29)/t19-/m1/s1
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PubMed
n/an/a 38n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107425
PNG
(CHEMBL3600423)
Show SMILES CCC[C@@H](NC(=O)c1ncco1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C19H20ClN5O2/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t16-/m1/s1
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n/an/a 42n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107431
PNG
(CHEMBL3600430)
Show SMILES CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C18H19ClN6OS/c1-3-4-15(25-17(26)18-20-5-6-27-18)12-7-14(19)16(23-8-12)24-13-9-21-11(2)22-10-13/h5-10,15H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t15-/m1/s1
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n/an/a 44n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107395
PNG
(CHEMBL3601912)
Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@@H](Cc2ccccc2)NC(=O)c2nccs2)cn1
Show InChI InChI=1S/C23H20ClN5OS/c1-15-7-8-18(14-26-15)28-21-19(24)12-17(13-27-21)20(11-16-5-3-2-4-6-16)29-22(30)23-25-9-10-31-23/h2-10,12-14,20H,11H2,1H3,(H,27,28)(H,29,30)/t20-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107421
PNG
(CHEMBL3601913)
Show SMILES COC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C18H18ClN5O2S/c1-11-3-4-13(9-21-11)23-16-14(19)7-12(8-22-16)15(10-26-2)24-17(25)18-20-5-6-27-18/h3-9,15H,10H2,1-2H3,(H,22,23)(H,24,25)/t15-/m0/s1
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n/an/a 56n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107430
PNG
(CHEMBL3600429)
Show SMILES CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cnc(C)s2)c(Cl)c1
Show InChI InChI=1S/C17H18ClN5OS2/c1-3-4-13(22-16(24)17-19-5-6-25-17)11-7-12(18)15(21-8-11)23-14-9-20-10(2)26-14/h5-9,13H,3-4H2,1-2H3,(H,21,23)(H,22,24)/t13-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107427
PNG
(CHEMBL3600425)
Show SMILES CCC[C@@H](NC(=O)c1nccs1)c1cnc(Nc2cccnc2)c(Cl)c1
Show InChI InChI=1S/C18H18ClN5OS/c1-2-4-15(24-17(25)18-21-7-8-26-18)12-9-14(19)16(22-10-12)23-13-5-3-6-20-11-13/h3,5-11,15H,2,4H2,1H3,(H,22,23)(H,24,25)/t15-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107432
PNG
(CHEMBL3600431)
Show SMILES Cc1ccc(Nc2ncc(cc2Cl)C2CCCN2C(=O)c2nccs2)cn1
Show InChI InChI=1S/C19H18ClN5OS/c1-12-4-5-14(11-22-12)24-17-15(20)9-13(10-23-17)16-3-2-7-25(16)19(26)18-21-6-8-27-18/h4-6,8-11,16H,2-3,7H2,1H3,(H,23,24)
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n/an/a 182n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107433
PNG
(CHEMBL3600432)
Show SMILES CCCN(Cc1cnc(Nc2ccc(C)nc2)c(Cl)c1)C(=O)c1nccs1
Show InChI InChI=1S/C19H20ClN5OS/c1-3-7-25(19(26)18-21-6-8-27-18)12-14-9-16(20)17(23-10-14)24-15-5-4-13(2)22-11-15/h4-6,8-11H,3,7,12H2,1-2H3,(H,23,24)
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n/an/a 584n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107533
PNG
(CHEMBL3600401)
Show SMILES CCC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C19H20ClN5OS/c1-3-4-16(25-18(26)19-21-7-8-27-19)13-9-15(20)17(23-10-13)24-14-6-5-12(2)22-11-14/h5-11,16H,3-4H2,1-2H3,(H,23,24)(H,25,26)/t16-/m0/s1
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n/an/a 978n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107540
PNG
(CHEMBL3601907)
Show SMILES Cc1ccc(Nc2ncc(cc2Cl)[C@@H](NC(=O)c2nccs2)C2CCC2)cn1
Show InChI InChI=1S/C20H20ClN5OS/c1-12-5-6-15(11-23-12)25-18-16(21)9-14(10-24-18)17(13-3-2-4-13)26-19(27)20-22-7-8-28-20/h5-11,13,17H,2-4H2,1H3,(H,24,25)(H,26,27)/t17-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107531
PNG
(CHEMBL3601899)
Show SMILES CC[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C18H18ClN5OS/c1-3-15(24-17(25)18-20-6-7-26-18)12-8-14(19)16(22-9-12)23-13-5-4-11(2)21-10-13/h4-10,15H,3H2,1-2H3,(H,22,23)(H,24,25)/t15-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50107536
PNG
(CHEMBL3601903)
Show SMILES CC(C)[C@H](NC(=O)c1nccs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C19H20ClN5OS/c1-11(2)16(25-18(26)19-21-6-7-27-19)13-8-15(20)17(23-9-13)24-14-5-4-12(3)22-10-14/h4-11,16H,1-3H3,(H,23,24)(H,25,26)/t16-/m0/s1
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n/an/a 1.06E+3n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...


Bioorg Med Chem Lett 25: 3135-41 (2015)


Article DOI: 10.1016/j.bmcl.2015.06.008
BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Oryctolagus cuniculus)
BDBM50359616
PNG
(CHEMBL1928221)
Show SMILES O[C@@H](CC1CCCCC1)\C=C\[C@H]1[C@H](O)C[C@@H]2Oc3c(cccc3CCC(O)=O)[C@H]12
Show InChI InChI=1S/C24H32O5/c25-17(13-15-5-2-1-3-6-15)10-11-18-20(26)14-21-23(18)19-8-4-7-16(24(19)29-21)9-12-22(27)28/h4,7-8,10-11,15,17-18,20-21,23,25-26H,1-3,5-6,9,12-14H2,(H,27,28)/b11-10+/t17-,18+,20-,21+,23+/m1/s1
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n/an/an/an/a 5.70n/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rabbit EP4 receptor assessed as relaxation of Kcl-induced tissue contraction by isometric transducer method


Bioorg Med Chem Lett 21: 7505-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.004
BindingDB Entry DOI: 10.7270/Q2SX6DNT
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype


(Oryctolagus cuniculus)
BDBM50359615
PNG
(CHEMBL1928220)
Show SMILES O[C@@H](CC1CCCCC1)\C=C\[C@H]1[C@H](O)C[C@@H]2Oc3c(cccc3CCc3nnn[nH]3)[C@H]12
Show InChI InChI=1S/C24H32N4O3/c29-17(13-15-5-2-1-3-6-15)10-11-18-20(30)14-21-23(18)19-8-4-7-16(24(19)31-21)9-12-22-25-27-28-26-22/h4,7-8,10-11,15,17-18,20-21,23,29-30H,1-3,5-6,9,12-14H2,(H,25,26,27,28)/b11-10+/t17-,18+,20-,21+,23+/m1/s1
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n/an/an/an/a 2.60n/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Agonist activity at rabbit EP4 receptor assessed as relaxation of Kcl-induced tissue contraction by isometric transducer method


Bioorg Med Chem Lett 21: 7505-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.004
BindingDB Entry DOI: 10.7270/Q2SX6DNT
More data for this
Ligand-Target Pair