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Compile Data Set for Download or QSAR

Found 368 hits of ec50 data for polymerid = 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 (mGluR5)


(Homo sapiens (Human))
BDBM174091
PNG
(US9688669, Example 1)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCC1
Show InChI InChI=1S/C21H19FN2O2/c22-18-9-3-8-16(11-18)20-19(24-21(25)26-20)17-10-15(12-23-13-17)7-2-6-14-4-1-5-14/h3,8-14,19-20H,1,4-6H2,(H,24,25)/t19-,20-/m1/s1
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n/an/an/an/a 1.70n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174092
PNG
(US9688669, Example 2)
Show SMILES CCSCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C19H17FN2O2S/c1-2-25-8-4-5-13-9-15(12-21-11-13)17-18(24-19(23)22-17)14-6-3-7-16(20)10-14/h3,6-7,9-12,17-18H,2,8H2,1H3,(H,22,23)/t17-,18-/m1/s1
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n/an/an/an/a 2n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174100
PNG
(US9688669, Example 3)
Show SMILES CCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O2/c1-2-3-4-5-7-14-10-16(13-22-12-14)18-19(25-20(24)23-18)15-8-6-9-17(21)11-15/h6,8-13,18-19H,2-4H2,1H3,(H,23,24)/t18-,19-/m1/s1
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n/an/an/an/a 2.20n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174125
PNG
(US9688669, Example 4)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CC1
Show InChI InChI=1S/C20H17FN2O2/c21-17-6-2-5-15(10-17)19-18(23-20(24)25-19)16-9-14(11-22-12-16)4-1-3-13-7-8-13/h2,5-6,9-13,18-19H,3,7-8H2,(H,23,24)/t18-,19-/m1/s1
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n/an/an/an/a 3.60n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174127
PNG
(US9688669, Example 5)
Show SMILES CC(C)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C21H21FN2O2/c1-14(2)6-3-4-7-15-10-17(13-23-12-15)19-20(26-21(25)24-19)16-8-5-9-18(22)11-16/h5,8-14,19-20H,3,6H2,1-2H3,(H,24,25)/t19-,20-/m1/s1
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n/an/an/an/a 4.70n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174129
PNG
(US9688669, Example 6)
Show SMILES CCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C19H17FN2O2/c1-2-3-4-6-13-9-15(12-21-11-13)17-18(24-19(23)22-17)14-7-5-8-16(20)10-14/h5,7-12,17-18H,2-3H2,1H3,(H,22,23)/t17-,18-/m1/s1
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n/an/an/an/a 5.20n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174131
PNG
(US9688669, Example 7)
Show SMILES C[C@H](O)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O3/c1-13(24)5-2-3-6-14-9-16(12-22-11-14)18-19(26-20(25)23-18)15-7-4-8-17(21)10-15/h4,7-13,18-19,24H,2,5H2,1H3,(H,23,25)/t13-,18+,19+/m0/s1
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n/an/an/an/a 5.90n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222833
PNG
(US9315498, 124)
Show SMILES CN1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1cc(F)ccc1F
Show InChI InChI=1S/C18H16F2N4O/c1-18(2)11-24(17(25)23(18)3)16-21-9-12(10-22-16)4-5-13-8-14(19)6-7-15(13)20/h6-10H,11H2,1-3H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222718
PNG
(US9315498, 5)
Show SMILES CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C18H16N2O2/c1-18(2)13-20(17(21)22-18)16-11-10-15(12-19-16)9-8-14-6-4-3-5-7-14/h3-7,10-12H,13H2,1-2H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174195
PNG
(US9688669, Example 51)
Show SMILES CCCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C21H21FN2O2/c1-2-3-4-5-6-8-15-11-17(14-23-13-15)19-20(26-21(25)24-19)16-9-7-10-18(22)12-16/h7,9-14,19-20H,2-5H2,1H3,(H,24,25)/t19-,20-/m1/s1
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n/an/an/an/a 8.10n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174258
PNG
(US9688669, Example 89)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCC1
Show InChI InChI=1S/C20H17FN2O2/c21-17-6-2-5-15(10-17)19-18(23-20(24)25-19)16-9-14(11-22-12-16)8-7-13-3-1-4-13/h2,5-6,9-13,18-19H,1,3-4H2,(H,23,24)/t18-,19-/m1/s1
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n/an/an/an/a 8.30n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222719
PNG
(US9315498, 6)
Show SMILES CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C18H15FN2O2/c1-18(2)12-21(17(22)23-18)16-9-8-14(11-20-16)7-6-13-4-3-5-15(19)10-13/h3-5,8-11H,12H2,1-2H3
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n/an/an/an/a 9n/an/an/an/a



HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174201
PNG
(US9688669, Example 52)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCOCC(F)(F)F
Show InChI InChI=1S/C19H14F4N2O3/c20-15-5-1-4-13(8-15)17-16(25-18(26)28-17)14-7-12(9-24-10-14)3-2-6-27-11-19(21,22)23/h1,4-5,7-10,16-17H,6,11H2,(H,25,26)/t16-,17-/m1/s1
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n/an/an/an/a 9.30n/an/an/an/a



Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM198910
PNG
(US9221802, Ref. Ex. 72 | US9315498, 72)
Show SMILES CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C19H18N2O2/c1-19(2)12-13-21(18(22)23-19)17-11-10-16(14-20-17)9-8-15-6-4-3-5-7-15/h3-7,10-11,14H,12-13H2,1-2H3
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Hoffman-La Roche Inc.

US Patent


Assay Description
About 24 hrs before an experiment, 5x104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded...


US Patent US9221802 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SVJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM198910
PNG
(US9221802, Ref. Ex. 72 | US9315498, 72)
Show SMILES CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C19H18N2O2/c1-19(2)12-13-21(18(22)23-19)17-11-10-16(14-20-17)9-8-15-6-4-3-5-7-15/h3-7,10-11,14H,12-13H2,1-2H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM198917
PNG
(US9221802, Ex. 3)
Show SMILES Fc1ccc(cc1)C#Cc1ccc(nc1)N1[C@@H]2CCC[C@@H]2COC1=O
Show InChI InChI=1S/C20H17FN2O2/c21-17-9-6-14(7-10-17)4-5-15-8-11-19(22-12-15)23-18-3-1-2-16(18)13-25-20(23)24/h6-12,16,18H,1-3,13H2/t16-,18-/m1/s1
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Hoffman-La Roche Inc.

US Patent


Assay Description
About 24 hrs before an experiment, 5x104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded...


US Patent US9221802 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SVJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM198916
PNG
(US9221802, Ex. 2)
Show SMILES Fc1cccc(c1)C#Cc1ccc(nc1)N1[C@@H]2CCC[C@@H]2COC1=O
Show InChI InChI=1S/C20H17FN2O2/c21-17-5-1-3-14(11-17)7-8-15-9-10-19(22-12-15)23-18-6-2-4-16(18)13-25-20(23)24/h1,3,5,9-12,16,18H,2,4,6,13H2/t16-,18-/m1/s1
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Hoffman-La Roche Inc.

US Patent


Assay Description
About 24 hrs before an experiment, 5x104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded...


US Patent US9221802 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SVJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222746
PNG
(US9315498, 34)
Show SMILES CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1cc(F)ccc1F
Show InChI InChI=1S/C18H14F2N2O2/c1-18(2)11-22(17(23)24-18)16-8-4-12(10-21-16)3-5-13-9-14(19)6-7-15(13)20/h4,6-10H,11H2,1-2H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222794
PNG
(US9315498, 84)
Show SMILES CN1C2CCCCC2N(C1=O)c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C21H21N3O/c1-23-18-9-5-6-10-19(18)24(21(23)25)20-14-13-17(15-22-20)12-11-16-7-3-2-4-8-16/h2-4,7-8,13-15,18-19H,5-6,9-10H2,1H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174231
PNG
(US9688669, Example 62)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCn1cccn1
Show InChI InChI=1S/C20H15FN4O2/c21-17-6-1-5-15(11-17)19-18(24-20(26)27-19)16-10-14(12-22-13-16)4-2-8-25-9-3-7-23-25/h1,3,5-7,9-13,18-19H,8H2,(H,24,26)/t18-,19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222831
PNG
(US9315498, 122)
Show SMILES CN1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C18H18N4O/c1-18(2)13-22(17(23)21(18)3)16-19-11-15(12-20-16)10-9-14-7-5-4-6-8-14/h4-8,11-12H,13H2,1-3H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174133
PNG
(US9688669, Example 9)
Show SMILES CC(C)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O2/c1-13(2)5-3-6-14-9-16(12-22-11-14)18-19(25-20(24)23-18)15-7-4-8-17(21)10-15/h4,7-13,18-19H,5H2,1-2H3,(H,23,24)/t18-,19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222828
PNG
(US9315498, 119)
Show SMILES CC1(C)CN(C(=O)C1)c1ncc(cn1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClN3O/c1-18(2)9-16(23)22(12-18)17-20-10-14(11-21-17)7-6-13-4-3-5-15(19)8-13/h3-5,8,10-11H,9,12H2,1-2H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM198913
PNG
(US9221802, Ref. Ex. 81 | US9315498, 81)
Show SMILES CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cc(F)ccc1F
Show InChI InChI=1S/C19H16F2N2O2/c1-19(2)9-10-23(18(24)25-19)17-8-4-13(12-22-17)3-5-14-11-15(20)6-7-16(14)21/h4,6-8,11-12H,9-10H2,1-2H3
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Hoffman-La Roche Inc.

US Patent


Assay Description
About 24 hrs before an experiment, 5x104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded...


US Patent US9221802 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SVJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222735
PNG
(US9315498, 23)
Show SMILES O=C1O[C@H]2CCC[C@H]2N1c1ccc(cn1)C#Cc1cccnc1
Show InChI InChI=1S/C18H15N3O2/c22-18-21(15-4-1-5-16(15)23-18)17-9-8-14(12-20-17)7-6-13-3-2-10-19-11-13/h2-3,8-12,15-16H,1,4-5H2/t15-,16+/m1/s1
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222755
PNG
(US9315498, 43)
Show SMILES CC1(C)CCC(=O)N(C1)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O/c1-20(2)11-10-19(24)23(14-20)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222775
PNG
(US9315498, 62)
Show SMILES CO[C@@H]1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C20H20N2O2/c1-20(2)14-22(19(23)18(20)24-3)17-12-11-16(13-21-17)10-9-15-7-5-4-6-8-15/h4-8,11-13,18H,14H2,1-3H3/t18-/m1/s1
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174232
PNG
(US9688669, Example 63)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCCO1
Show InChI InChI=1S/C21H19FN2O3/c22-17-6-2-5-15(11-17)20-19(24-21(25)27-20)16-10-14(12-23-13-16)4-1-7-18-8-3-9-26-18/h2,5-6,10-13,18-20H,3,7-9H2,(H,24,25)/t18?,19-,20-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM198913
PNG
(US9221802, Ref. Ex. 81 | US9315498, 81)
Show SMILES CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cc(F)ccc1F
Show InChI InChI=1S/C19H16F2N2O2/c1-19(2)9-10-23(18(24)25-19)17-8-4-13(12-22-17)3-5-14-11-15(20)6-7-16(14)21/h4,6-8,11-12H,9-10H2,1-2H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222797
PNG
(US9315498, 87)
Show SMILES CC1(C)CCN(C(=O)C1)c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C20H20N2O/c1-20(2)12-13-22(19(23)14-20)18-11-10-17(15-21-18)9-8-16-6-4-3-5-7-16/h3-7,10-11,15H,12-14H2,1-2H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222888
PNG
(US9315498, 174)
Show SMILES CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(nn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C19H17FN4O/c1-23-16-6-3-7-17(16)24(19(23)25)18-11-10-15(21-22-18)9-8-13-4-2-5-14(20)12-13/h2,4-5,10-12,16-17H,3,6-7H2,1H3/t16-,17+/m0/s1
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174132
PNG
(US9688669, Example 10 | US9688669, Example 8)
Show SMILES CC(O)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O3/c1-13(24)5-2-3-6-14-9-16(12-22-11-14)18-19(26-20(25)23-18)15-7-4-8-17(21)10-15/h4,7-13,18-19,24H,2,5H2,1H3,(H,23,25)/t13?,18-,19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222789
PNG
(US9315498, 77)
Show SMILES CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H17ClN2O2/c1-19(2)10-11-22(18(23)24-19)17-9-8-15(13-21-17)7-6-14-4-3-5-16(20)12-14/h3-5,8-9,12-13H,10-11H2,1-2H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM198911
PNG
(US9221802, Ref. Ex. 76 | US9315498, 76)
Show SMILES CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C19H17FN2O2/c1-19(2)10-11-22(18(23)24-19)17-9-8-15(13-21-17)7-6-14-4-3-5-16(20)12-14/h3-5,8-9,12-13H,10-11H2,1-2H3
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Hoffman-La Roche Inc.

US Patent


Assay Description
About 24 hrs before an experiment, 5x104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded...


US Patent US9221802 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SVJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM198911
PNG
(US9221802, Ref. Ex. 76 | US9315498, 76)
Show SMILES CC1(C)CCN(C(=O)O1)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C19H17FN2O2/c1-19(2)10-11-22(18(23)24-19)17-9-8-15(13-21-17)7-6-14-4-3-5-16(20)12-14/h3-5,8-9,12-13H,10-11H2,1-2H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222824
PNG
(US9315498, 115)
Show SMILES CC1(C)CN(C(=O)C1)c1ncc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C18H17N3O/c1-18(2)10-16(22)21(13-18)17-19-11-15(12-20-17)9-8-14-6-4-3-5-7-14/h3-7,11-12H,10,13H2,1-2H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222827
PNG
(US9315498, 118)
Show SMILES CC1(C)CN(C(=O)C1)c1ncc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C18H16FN3O/c1-18(2)9-16(23)22(12-18)17-20-10-14(11-21-17)7-6-13-4-3-5-15(19)8-13/h3-5,8,10-11H,9,12H2,1-2H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM168300
PNG
(US9688669, Example 99)
Show SMILES F[C@H]1C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C20H16F2N2O2/c21-16-3-1-2-14(9-16)19-18(24-20(25)26-19)15-6-13(10-23-11-15)5-4-12-7-17(22)8-12/h1-3,6,9-12,17-19H,7-8H2,(H,24,25)/t12-,17-,18-,19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222883
PNG
(US9315498, 169)
Show SMILES COC1CN(C(=O)OC1(C)C)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O3/c1-20(2)17(25-3)13-23(19(24)26-20)18-10-9-15(12-22-18)8-7-14-5-4-6-16(21)11-14/h4-6,9-12,17H,13H2,1-3H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222884
PNG
(US9315498, 170)
Show SMILES CN1[C@H]2CCC[C@H]2N(C1=O)c1ccc(nn1)C#Cc1ccccc1
Show InChI InChI=1S/C19H18N4O/c1-22-16-8-5-9-17(16)23(19(22)24)18-13-12-15(20-21-18)11-10-14-6-3-2-4-7-14/h2-4,6-7,12-13,16-17H,5,8-9H2,1H3/t16-,17+/m0/s1
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174132
PNG
(US9688669, Example 10 | US9688669, Example 8)
Show SMILES CC(O)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O3/c1-13(24)5-2-3-6-14-9-16(12-22-11-14)18-19(26-20(25)23-18)15-7-4-8-17(21)10-15/h4,7-13,18-19,24H,2,5H2,1H3,(H,23,25)/t13?,18-,19-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222834
PNG
(US9315498, 125)
Show SMILES CN1C(=O)N(CC1(C)C)c1ncc(cn1)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C18H17FN4O/c1-18(2)12-23(17(24)22(18)3)16-20-10-14(11-21-16)5-4-13-6-8-15(19)9-7-13/h6-11H,12H2,1-3H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222734
PNG
(US9315498, 22)
Show SMILES O=C1O[C@H]2CCC[C@H]2N1c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C19H16N2O2/c22-19-21(16-7-4-8-17(16)23-19)18-12-11-15(13-20-18)10-9-14-5-2-1-3-6-14/h1-3,5-6,11-13,16-17H,4,7-8H2/t16-,17+/m1/s1
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174135
PNG
(US9688669, Example 11)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCOCC1
Show InChI InChI=1S/C22H21FN2O3/c23-19-6-2-5-17(12-19)21-20(25-22(26)28-21)18-11-16(13-24-14-18)4-1-3-15-7-9-27-10-8-15/h2,5-6,11-15,20-21H,3,7-10H2,(H,25,26)/t20-,21-/m1/s1
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Bristol-Myers Squibb Company

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222867
PNG
(US9315498, 153)
Show SMILES CC1(C)CCN(C(=O)O1)c1ccc(nn1)C#Cc1ccccc1
Show InChI InChI=1S/C18H17N3O2/c1-18(2)12-13-21(17(22)23-18)16-11-10-15(19-20-16)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222760
PNG
(US9315498, 48)
Show SMILES CN1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1cccnc1
Show InChI InChI=1S/C18H18N4O/c1-18(2)13-22(17(23)21(18)3)16-9-8-15(12-20-16)7-6-14-5-4-10-19-11-14/h4-5,8-12H,13H2,1-3H3
PDB

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n/an/an/an/a 14n/an/an/an/a



HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM198918
PNG
(US9221802, Ex. 4)
Show SMILES Fc1ccc(F)c(c1)C#Cc1ccc(nc1)N1[C@@H]2CCC[C@@H]2COC1=O
Show InChI InChI=1S/C20H16F2N2O2/c21-16-7-8-17(22)14(10-16)6-4-13-5-9-19(23-11-13)24-18-3-1-2-15(18)12-26-20(24)25/h5,7-11,15,18H,1-3,12H2/t15-,18-/m1/s1
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Hoffman-La Roche Inc.

US Patent


Assay Description
About 24 hrs before an experiment, 5x104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded...


US Patent US9221802 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SVJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222722
PNG
(US9315498, 9)
Show SMILES O=C1OC2(CC2)CN1c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C18H14N2O2/c21-17-20(13-18(22-17)10-11-18)16-9-8-15(12-19-16)7-6-14-4-2-1-3-5-14/h1-5,8-9,12H,10-11,13H2
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HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222739
PNG
(US9315498, 27)
Show SMILES CC1N(C(=O)OC1(C)C)c1ccc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C19H18N2O2/c1-14-19(2,3)23-18(22)21(14)17-12-11-16(13-20-17)10-9-15-7-5-4-6-8-15/h4-8,11-14H,1-3H3
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n/an/an/an/a 15n/an/an/an/a



HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM222741
PNG
(US9315498, 29)
Show SMILES CC1(C)CN(C(=O)O1)c1ccc(cn1)C#Cc1cncc(F)c1
Show InChI InChI=1S/C17H14FN3O2/c1-17(2)11-21(16(22)23-17)15-6-5-12(9-20-15)3-4-13-7-14(18)10-19-8-13/h5-10H,11H2,1-2H3
PDB

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n/an/an/an/a 15n/an/an/an/a



HOFFMAN-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 US9315498 (2016)


BindingDB Entry DOI: 10.7270/Q23T9G2X
More data for this
Ligand-Target Pair
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