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Patent code US9212171

Compile Data Set for Download or QSAR
Found 46 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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196679
PNG
(US9212171, 4)
Show SMILES CN1C(=O)C(CC1(C)C)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O/c1-20(2)12-17(19(24)23(20)3)18-10-9-15(13-22-18)8-7-14-5-4-6-16(21)11-14/h4-6,9-11,13,17H,12H2,1-3H3
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n/an/an/an/a 61n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196716
PNG
(US9212171, 38 | US9212171, 40)
Show SMILES CN1[C@H]2CCCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
Show InChI InChI=1S/C22H21FN2O/c1-25-20-8-3-2-7-18(20)21(22(25)26)19-12-11-16(14-24-19)10-9-15-5-4-6-17(23)13-15/h4-6,11-14,18,20-21H,2-3,7-8H2,1H3/t18-,20+,21-/m1/s1
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n/an/an/an/a 89n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196703
PNG
(US9212171, 28)
Show SMILES CN1[C@@H]2CCC[C@@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C21H20N2O/c1-23-19-9-5-8-17(19)20(21(23)24)18-13-12-16(14-22-18)11-10-15-6-3-2-4-7-15/h2-4,6-7,12-14,17,19-20H,5,8-9H2,1H3/t17-,19+,20-/m0/s1
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n/an/an/an/a 24n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196707
PNG
(US9212171, 31)
Show SMILES CN1[C@@H]2CCC[C@@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
Show InChI InChI=1S/C21H19FN2O/c1-24-19-7-3-6-17(19)20(21(24)25)18-11-10-15(13-23-18)9-8-14-4-2-5-16(22)12-14/h2,4-5,10-13,17,19-20H,3,6-7H2,1H3/t17-,19+,20-/m0/s1
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n/an/an/an/a 25n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196706
PNG
(US9212171, 30 | US9212171, 32)
Show SMILES CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
Show InChI InChI=1S/C21H19FN2O/c1-24-19-7-3-6-17(19)20(21(24)25)18-11-10-15(13-23-18)9-8-14-4-2-5-16(22)12-14/h2,4-5,10-13,17,19-20H,3,6-7H2,1H3/t17-,19+,20-/m1/s1
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n/an/an/an/a 48n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196717
PNG
(US9212171, 39)
Show SMILES CN1[C@H]2CCCC[C@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
Show InChI InChI=1S/C22H21FN2O/c1-25-20-8-3-2-7-18(20)21(22(25)26)19-12-11-16(14-24-19)10-9-15-5-4-6-17(23)13-15/h4-6,11-14,18,20-21H,2-3,7-8H2,1H3/t18-,20+,21+/m1/s1
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n/an/an/an/a 141n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196680
PNG
(US9212171, 5)
Show SMILES CN1C(=O)C(CC1(C)C)(C(=O)OCc1ccccc1)c1ncc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C27H25N3O3/c1-26(2)19-27(24(31)30(26)3,25(32)33-18-21-12-8-5-9-13-21)23-28-16-22(17-29-23)15-14-20-10-6-4-7-11-20/h4-13,16-17H,18-19H2,1-3H3
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n/an/an/an/a 528n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196684
PNG
(US9212171, 9)
Show SMILES CN1C(=O)C(CC1(C)C)c1ccc(nn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C19H18FN3O/c1-19(2)12-16(18(24)23(19)3)17-10-9-15(21-22-17)8-7-13-5-4-6-14(20)11-13/h4-6,9-11,16H,12H2,1-3H3
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n/an/an/an/a 34n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196695
PNG
(US9212171, 20)
Show SMILES CN1C(=O)C(C)(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C21H22N2O/c1-20(2)15-21(3,19(24)23(20)4)18-13-12-17(14-22-18)11-10-16-8-6-5-7-9-16/h5-9,12-14H,15H2,1-4H3
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n/an/an/an/a 90n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196711
PNG
(US9212171, 33)
Show SMILES CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ncc(cn1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C20H19N3O/c1-23-17-9-5-8-16(17)18(20(23)24)19-21-12-15(13-22-19)11-10-14-6-3-2-4-7-14/h2-4,6-7,12-13,16-18H,5,8-9H2,1H3/t16-,17+,18-/m1/s1
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n/an/an/an/a 52n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196688
PNG
(US9212171, 13)
Show SMILES CN1C(=O)C(CCC1(C)C)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C21H21FN2O/c1-21(2)12-11-18(20(25)24(21)3)19-10-9-16(14-23-19)8-7-15-5-4-6-17(22)13-15/h4-6,9-10,13-14,18H,11-12H2,1-3H3
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n/an/an/an/a 98n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196698
PNG
(US9212171, 23)
Show SMILES CN1CCCCC(c2ccc(cn2)C#Cc2ccc(F)cc2)C1=O
Show InChI InChI=1S/C20H19FN2O/c1-23-13-3-2-4-18(20(23)24)19-12-9-16(14-22-19)6-5-15-7-10-17(21)11-8-15/h7-12,14,18H,2-4,13H2,1H3
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n/an/an/an/a 90n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196700
PNG
(US9212171, 25)
Show SMILES CN1CCCC[C@@H](c2ccc(cn2)C#Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C20H20N2O/c1-22-14-6-5-9-18(20(22)23)19-13-12-17(15-21-19)11-10-16-7-3-2-4-8-16/h2-4,7-8,12-13,15,18H,5-6,9,14H2,1H3/t18-/m0/s1
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n/an/an/an/a 35n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196701
PNG
(US9212171, 26)
Show SMILES CN1CCCC[C@H](c2ccc(cn2)C#Cc2ccccc2)C1=O |r|
Show InChI InChI=1S/C20H20N2O/c1-22-14-6-5-9-18(20(22)23)19-13-12-17(15-21-19)11-10-16-7-3-2-4-8-16/h2-4,7-8,12-13,15,18H,5-6,9,14H2,1H3/t18-/m1/s1
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n/an/an/an/a 265n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196705
PNG
(US9212171, 29)
Show SMILES CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C21H19FN2O/c1-24-19-4-2-3-17(19)20(21(24)25)18-12-9-15(13-23-18)6-5-14-7-10-16(22)11-8-14/h7-13,17,19-20H,2-4H2,1H3/t17-,19+,20-/m1/s1
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n/an/an/an/a 78n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196723
PNG
(US9212171, 45)
Show SMILES CN1C(=O)[C@@H](CC1(C)C)c1ccc(cn1)C#Cc1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C19H18ClN3O/c1-19(2)11-15(18(24)23(19)3)16-7-6-14(12-22-16)5-4-13-8-9-21-17(20)10-13/h6-10,12,15H,11H2,1-3H3/t15-/m0/s1
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n/an/an/an/a 65n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196677
PNG
(US9212171, 2)
Show SMILES CN1C(=O)C(CC1(C)C)c1ccc(cn1)C#Cc1cccnc1
Show InChI InChI=1S/C19H19N3O/c1-19(2)11-16(18(23)22(19)3)17-9-8-15(13-21-17)7-6-14-5-4-10-20-12-14/h4-5,8-10,12-13,16H,11H2,1-3H3
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n/an/an/an/a 981n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196691
PNG
(US9212171, 16)
Show SMILES CN1C(=O)C(CCC1(C)C)c1ncc(cn1)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C20H20FN3O/c1-20(2)11-10-17(19(25)24(20)3)18-22-12-15(13-23-18)5-4-14-6-8-16(21)9-7-14/h6-9,12-13,17H,10-11H2,1-3H3
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n/an/an/an/a 573n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196693
PNG
(US9212171, 18)
Show SMILES CN1C(=O)C(O)(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C20H20N2O2/c1-19(2)14-20(24,18(23)22(19)3)17-12-11-16(13-21-17)10-9-15-7-5-4-6-8-15/h4-8,11-13,24H,14H2,1-3H3
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n/an/an/an/a 414n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196712
PNG
(US9212171, 34 | US9212171, 36)
Show SMILES CN1[C@H]2CCCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H22N2O/c1-24-20-10-6-5-9-18(20)21(22(24)25)19-14-13-17(15-23-19)12-11-16-7-3-2-4-8-16/h2-4,7-8,13-15,18,20-21H,5-6,9-10H2,1H3/t18-,20+,21-/m1/s1
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n/an/an/an/a 185n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196720
PNG
(US9212171, 42)
Show SMILES CN1[C@H]2CCCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H21FN2O/c1-25-20-5-3-2-4-18(20)21(22(25)26)19-13-10-16(14-24-19)7-6-15-8-11-17(23)12-9-15/h8-14,18,20-21H,2-5H2,1H3/t18-,20+,21-/m1/s1
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n/an/an/an/a 57n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196722
PNG
(US9212171, 44)
Show SMILES CN1C(=O)C(CC1(C)C)c1ccc(cn1)C#Cc1ccnc(Cl)c1
Show InChI InChI=1S/C19H18ClN3O/c1-19(2)11-15(18(24)23(19)3)16-7-6-14(12-22-16)5-4-13-8-9-21-17(20)10-13/h6-10,12,15H,11H2,1-3H3
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n/an/an/an/a 88n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196681
PNG
(US9212171, 6)
Show SMILES CN1C(=O)C(CC1(C)C)c1ncc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C19H19N3O/c1-19(2)11-16(18(23)22(19)3)17-20-12-15(13-21-17)10-9-14-7-5-4-6-8-14/h4-8,12-13,16H,11H2,1-3H3
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n/an/an/an/a 130n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196690
PNG
(US9212171, 15)
Show SMILES CN1C(=O)C(CCC1(C)C)c1ncc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C20H21N3O/c1-20(2)12-11-17(19(24)23(20)3)18-21-13-16(14-22-18)10-9-15-7-5-4-6-8-15/h4-8,13-14,17H,11-12H2,1-3H3
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n/an/an/an/a 179n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196696
PNG
(US9212171, 21)
Show SMILES CN1C(=O)C(CC1(C)C)c1ncc(cc1F)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H18F2N2O/c1-20(2)11-16(19(25)24(20)3)18-17(22)10-14(12-23-18)8-7-13-5-4-6-15(21)9-13/h4-6,9-10,12,16H,11H2,1-3H3
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n/an/an/an/a 188n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196716
PNG
(US9212171, 38 | US9212171, 40)
Show SMILES CN1[C@H]2CCCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
Show InChI InChI=1S/C22H21FN2O/c1-25-20-8-3-2-7-18(20)21(22(25)26)19-12-11-16(14-24-19)10-9-15-5-4-6-17(23)13-15/h4-6,11-14,18,20-21H,2-3,7-8H2,1H3/t18-,20+,21-/m1/s1
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n/an/an/an/a 69n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196719
PNG
(US9212171, 41)
Show SMILES CN1[C@@H]2CCCC[C@@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
Show InChI InChI=1S/C22H21FN2O/c1-25-20-8-3-2-7-18(20)21(22(25)26)19-12-11-16(14-24-19)10-9-15-5-4-6-17(23)13-15/h4-6,11-14,18,20-21H,2-3,7-8H2,1H3/t18-,20+,21-/m0/s1
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n/an/an/an/a 68n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196721
PNG
(US9212171, 43)
Show SMILES CN1[C@@H]2CCCC[C@@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H21FN2O/c1-25-20-5-3-2-4-18(20)21(22(25)26)19-13-10-16(14-24-19)7-6-15-8-11-17(23)12-9-15/h8-14,18,20-21H,2-5H2,1H3/t18-,20+,21-/m0/s1
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n/an/an/an/a 146n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196676
PNG
(US9212171, 1)
Show SMILES CN1C(=O)C(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C20H20N2O/c1-20(2)13-17(19(23)22(20)3)18-12-11-16(14-21-18)10-9-15-7-5-4-6-8-15/h4-8,11-12,14,17H,13H2,1-3H3
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n/an/an/an/a 60n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196678
PNG
(US9212171, 3)
Show SMILES CN1C(=O)C(CC1(C)C)c1ccc(cn1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C20H19ClN2O/c1-20(2)12-17(19(24)23(20)3)18-10-9-15(13-22-18)8-7-14-5-4-6-16(21)11-14/h4-6,9-11,13,17H,12H2,1-3H3
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n/an/an/an/a 38n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196687
PNG
(US9212171, 12)
Show SMILES CN1C(=O)C(CCC1(C)C)c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C21H22N2O/c1-21(2)14-13-18(20(24)23(21)3)19-12-11-17(15-22-19)10-9-16-7-5-4-6-8-16/h4-8,11-12,15,18H,13-14H2,1-3H3
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n/an/an/an/a 113n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196699
PNG
(US9212171, 24)
Show SMILES CN1CCCCC(c2ccc(cn2)C#Cc2cccc(F)c2)C1=O
Show InChI InChI=1S/C20H19FN2O/c1-23-12-3-2-7-18(20(23)24)19-11-10-16(14-22-19)9-8-15-5-4-6-17(21)13-15/h4-6,10-11,13-14,18H,2-3,7,12H2,1H3
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n/an/an/an/a 39n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196682
PNG
(US9212171, 7)
Show SMILES CN1C(=O)C(CC1(C)C)c1ncc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C19H18FN3O/c1-19(2)10-16(18(24)23(19)3)17-21-11-14(12-22-17)8-7-13-5-4-6-15(20)9-13/h4-6,9,11-12,16H,10H2,1-3H3
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n/an/an/an/a 137n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196686
PNG
(US9212171, 11)
Show SMILES CN1C(=O)C(CC1(C)C)c1ccc(nn1)C#Cc1ccccc1
Show InChI InChI=1S/C19H19N3O/c1-19(2)13-16(18(23)22(19)3)17-12-11-15(20-21-17)10-9-14-7-5-4-6-8-14/h4-8,11-12,16H,13H2,1-3H3
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n/an/an/an/a 58n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196692
PNG
(US9212171, 17)
Show SMILES CN1C(=O)C(CCC1(C)C)c1ncc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H20FN3O/c1-20(2)10-9-17(19(25)24(20)3)18-22-12-15(13-23-18)8-7-14-5-4-6-16(21)11-14/h4-6,11-13,17H,9-10H2,1-3H3
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n/an/an/an/a 132n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196697
PNG
(US9212171, 22)
Show SMILES CN1CCCCC(c2ccc(cn2)C#Cc2ccccc2)C1=O
Show InChI InChI=1S/C20H20N2O/c1-22-14-6-5-9-18(20(22)23)19-13-12-17(15-21-19)11-10-16-7-3-2-4-8-16/h2-4,7-8,12-13,15,18H,5-6,9,14H2,1H3
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n/an/an/an/a 59n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196713
PNG
(US9212171, 35)
Show SMILES CN1[C@H]2CCCC[C@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H22N2O/c1-24-20-10-6-5-9-18(20)21(22(24)25)19-14-13-17(15-23-19)12-11-16-7-3-2-4-8-16/h2-4,7-8,13-15,18,20-21H,5-6,9-10H2,1H3/t18-,20+,21+/m1/s1
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n/an/an/an/a 101n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196712
PNG
(US9212171, 34 | US9212171, 36)
Show SMILES CN1[C@H]2CCCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H22N2O/c1-24-20-10-6-5-9-18(20)21(22(24)25)19-14-13-17(15-23-19)12-11-16-7-3-2-4-8-16/h2-4,7-8,13-15,18,20-21H,5-6,9-10H2,1H3/t18-,20+,21-/m1/s1
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n/an/an/an/a 84n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196715
PNG
(US9212171, 37)
Show SMILES CN1[C@@H]2CCCC[C@@H]2[C@H](C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C22H22N2O/c1-24-20-10-6-5-9-18(20)21(22(24)25)19-14-13-17(15-23-19)12-11-16-7-3-2-4-8-16/h2-4,7-8,13-15,18,20-21H,5-6,9-10H2,1H3/t18-,20+,21-/m0/s1
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n/an/an/an/a 84n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196724
PNG
(US9212171, 46)
Show SMILES CN1C(=O)[C@H](CC1(C)C)c1ccc(cn1)C#Cc1ccnc(Cl)c1 |r|
Show InChI InChI=1S/C19H18ClN3O/c1-19(2)11-15(18(24)23(19)3)16-7-6-14(12-22-16)5-4-13-8-9-21-17(20)10-13/h6-10,12,15H,11H2,1-3H3/t15-/m1/s1
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n/an/an/an/a 103n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196683
PNG
(US9212171, 8)
Show SMILES CN1C(=O)C(CC1(C)C)c1ncc(cn1)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O/c1-19(2)10-16(18(24)23(19)3)17-21-11-14(12-22-17)5-4-13-6-8-15(20)9-7-13/h6-9,11-12,16H,10H2,1-3H3
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n/an/an/an/a 390n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196689
PNG
(US9212171, 14)
Show SMILES CN1C(=O)C(CCC1(C)C)c1ccc(cn1)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C21H21FN2O/c1-21(2)13-12-18(20(25)24(21)3)19-11-8-16(14-23-19)5-4-15-6-9-17(22)10-7-15/h6-11,14,18H,12-13H2,1-3H3
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n/an/an/an/a 212n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196694
PNG
(US9212171, 19)
Show SMILES COC1(CC(C)(C)N(C)C1=O)c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C21H22N2O2/c1-20(2)15-21(25-4,19(24)23(20)3)18-13-12-17(14-22-18)11-10-16-8-6-5-7-9-16/h5-9,12-14H,15H2,1-4H3
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n/an/an/an/a 96n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196702
PNG
(US9212171, 27)
Show SMILES CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C21H20N2O/c1-23-19-9-5-8-17(19)20(21(23)24)18-13-12-16(14-22-18)11-10-15-6-3-2-4-7-15/h2-4,6-7,12-14,17,19-20H,5,8-9H2,1H3/t17-,19+,20-/m1/s1
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n/an/an/an/a 47n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196706
PNG
(US9212171, 30 | US9212171, 32)
Show SMILES CN1[C@H]2CCC[C@H]2[C@@H](C1=O)c1ccc(cn1)C#Cc1cccc(F)c1 |r|
Show InChI InChI=1S/C21H19FN2O/c1-24-19-7-3-6-17(19)20(21(24)25)18-11-10-15(13-23-18)9-8-14-4-2-5-16(22)12-14/h2,4-5,10-13,17,19-20H,3,6-7H2,1H3/t17-,19+,20-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 33n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM196685
PNG
(US9212171, 10)
Show SMILES CN1C(=O)C(CC1(C)C)c1ccc(nn1)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C19H18FN3O/c1-19(2)12-16(18(24)23(19)3)17-11-10-15(21-22-17)9-6-13-4-7-14(20)8-5-13/h4-5,7-8,10-11,16H,12H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 247n/an/an/a37



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...

US Patent US9212171 (2015)


BindingDB Entry DOI: 10.7270/Q25Q4TWH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%