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USPatent US9688669

Compile data set for download or QSAR
Found 125 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))		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 |r|
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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174136
PNG
(US9688669, Example 12 | US9688669, Example 15 | US...)
Show SMILES CCCC(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O3/c1-2-4-17(24)8-7-13-9-15(12-22-11-13)18-19(26-20(25)23-18)14-5-3-6-16(21)10-14/h3,5-6,9-12,17-19,24H,2,4H2,1H3,(H,23,25)/t17?,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174157
PNG
(BDBM174161 | US9688669, Example 25)
Show SMILES CC(C)C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O3/c1-12(2)17(24)7-6-13-8-15(11-22-10-13)18-19(26-20(25)23-18)14-4-3-5-16(21)9-14/h3-5,8-12,17-19,24H,1-2H3,(H,23,25)/t17?,18-,19-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174159
PNG
(US9688669, Example 27)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCn1cc(Cl)cn1 |r|
Show InChI InChI=1S/C20H14ClFN4O2/c21-16-11-24-26(12-16)6-2-3-13-7-15(10-23-9-13)18-19(28-20(27)25-18)14-4-1-5-17(22)8-14/h1,4-5,7-12,18-19H,6H2,(H,25,27)/t18-,19-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174163
PNG
(US9688669, Example 30)
Show SMILES OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CCCCC1 |r|
Show InChI InChI=1S/C23H23FN2O3/c24-19-8-4-7-17(12-19)22-21(26-23(28)29-22)18-11-15(13-25-14-18)9-10-20(27)16-5-2-1-3-6-16/h4,7-8,11-14,16,20-22,27H,1-3,5-6H2,(H,26,28)/t20?,21-,22-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174171
PNG
(US9688669, Example 33 | US9688669, Example 62)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCn1ccnc1 |r|
Show InChI InChI=1S/C20H15FN4O2/c21-17-5-1-4-15(10-17)19-18(24-20(26)27-19)16-9-14(11-23-12-16)3-2-7-25-8-6-22-13-25/h1,4-6,8-13,18-19H,7H2,(H,24,26)/t18-,19-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174172
PNG
(US9688669, Example 34)
Show SMILES CC(C)(C)OCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H21FN2O3/c1-21(2,3)26-9-5-6-14-10-16(13-23-12-14)18-19(27-20(25)24-18)15-7-4-8-17(22)11-15/h4,7-8,10-13,18-19H,9H2,1-3H3,(H,24,25)/t18-,19-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174180
PNG
(US9688669, Example 41)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1CCCCC1 |r|
Show InChI InChI=1S/C22H22FN3O2/c23-19-8-4-7-17(13-19)21-20(25-22(27)28-21)18-12-16(14-24-15-18)6-5-11-26-9-2-1-3-10-26/h4,7-8,12-15,20-21H,1-3,9-11H2,(H,25,27)/t20-,21-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174238
PNG
(US9688669, Example 69)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCO1 |r|
Show InChI InChI=1S/C20H17FN2O3/c21-16-5-2-4-14(10-16)19-18(23-20(24)26-19)15-9-13(11-22-12-15)3-1-6-17-7-8-25-17/h2,4-5,9-12,17-19H,6-8H2,(H,23,24)/t17?,18-,19-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174241
PNG
(US9688669, Example 72)
Show SMILES OC(CC1CC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H19FN2O3/c22-17-3-1-2-15(10-17)20-19(24-21(26)27-20)16-8-14(11-23-12-16)6-7-18(25)9-13-4-5-13/h1-3,8,10-13,18-20,25H,4-5,9H2,(H,24,26)/t18?,19-,20-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174245
PNG
(US9688669, Example 76)
Show SMILES OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CC1(F)F |r|
Show InChI InChI=1S/C20H15F3N2O3/c21-14-3-1-2-12(7-14)18-17(25-19(27)28-18)13-6-11(9-24-10-13)4-5-16(26)15-8-20(15,22)23/h1-3,6-7,9-10,15-18,26H,8H2,(H,25,27)/t15?,16?,17-,18-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174266
PNG
(US9688669, Example 97)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H15F3N2O2/c21-16-3-1-2-14(7-16)18-17(25-19(26)27-18)15-6-12(10-24-11-15)4-5-13-8-20(22,23)9-13/h1-3,6-7,10-11,13,17-18H,8-9H2,(H,25,26)/t17-,18-/m1/s1
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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174268
PNG
(US9688669, Example 100)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOCC1 |r|
Show InChI InChI=1S/C21H18F2N2O3/c22-16-3-4-18(23)17(10-16)20-19(25-21(26)28-20)15-9-14(11-24-12-15)2-1-13-5-7-27-8-6-13/h3-4,9-13,19-20H,5-8H2,(H,25,26)/t19-,20-/m1/s1
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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174272
PNG
(US9688669, Example 104)
Show SMILES O[C@H]1C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,wD:18.21,1.0,(-7.49,4.51,;-6.15,3.74,;-5.75,2.26,;-4.27,2.65,;-4.66,4.14,;-2.93,1.88,;-1.6,1.11,;-.26,.34,;-.26,-1.2,;1.07,-1.97,;2.4,-1.2,;2.4,.34,;1.07,1.11,;3.74,1.11,;3.74,2.65,;5.2,3.13,;5.97,4.46,;6.11,1.88,;5.2,.64,;5.6,-.85,;7.09,-1.25,;7.49,-2.73,;6.4,-3.82,;4.91,-3.42,;3.82,-4.51,;4.51,-1.94,)|
Show InChI InChI=1S/C20H17FN2O3/c21-16-3-1-2-14(9-16)19-18(23-20(25)26-19)15-6-13(10-22-11-15)5-4-12-7-17(24)8-12/h1-3,6,9-12,17-19,24H,7-8H2,(H,23,25)/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174273
PNG
(US9688669, Example 105)
Show SMILES C[C@@]1(O)C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:14.15,4.6,1.1,wD:19.22,1.0,(-7.16,-3.91,;-5.68,-3.51,;-6.08,-2.02,;-5.28,-5,;-3.79,-4.6,;-4.19,-3.11,;-2.46,-5.37,;-1.12,-6.14,;.21,-6.91,;.21,-8.45,;1.54,-9.22,;2.88,-8.45,;2.88,-6.91,;1.54,-6.14,;4.21,-6.14,;4.21,-4.6,;5.68,-4.12,;6.45,-2.79,;6.58,-5.37,;5.68,-6.61,;6.07,-8.1,;7.56,-8.5,;7.96,-9.99,;6.87,-11.08,;5.38,-10.68,;4.3,-11.77,;4.99,-9.19,)|
Show InChI InChI=1S/C21H19FN2O3/c1-21(26)9-14(10-21)6-5-13-7-16(12-23-11-13)18-19(27-20(25)24-18)15-3-2-4-17(22)8-15/h2-4,7-8,11-12,14,18-19,26H,9-10H2,1H3,(H,24,25)/t14-,18-,19-,21+/m1/s1
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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM179971
PNG
(US9688669, Example 106)
Show SMILES C[C@]1(O)C[C@@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:14.15,4.6,1.0,wD:19.22,1.1,(-7.16,-3.91,;-5.68,-3.51,;-6.08,-2.02,;-5.28,-5,;-3.79,-4.6,;-4.19,-3.11,;-2.46,-5.37,;-1.12,-6.14,;.21,-6.91,;.21,-8.45,;1.54,-9.22,;2.88,-8.45,;2.88,-6.91,;1.54,-6.14,;4.21,-6.14,;4.21,-4.6,;5.68,-4.12,;6.45,-2.79,;6.58,-5.37,;5.68,-6.61,;6.07,-8.1,;7.56,-8.5,;7.96,-9.99,;6.87,-11.08,;5.38,-10.68,;4.3,-11.77,;4.99,-9.19,)|
Show InChI InChI=1S/C21H19FN2O3/c1-21(26)9-14(10-21)6-5-13-7-16(12-23-11-13)18-19(27-20(25)24-18)15-3-2-4-17(22)8-15/h2-4,7-8,11-12,14,18-19,26H,9-10H2,1H3,(H,24,25)/t14-,18-,19-,21-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174278
PNG
(US9688669, Example 111)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cc(cnc1F)C#CC1CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H14F4N2O2/c21-14-3-1-2-13(7-14)17-16(26-19(27)28-17)15-6-11(10-25-18(15)22)4-5-12-8-20(23,24)9-12/h1-3,6-7,10,12,16-17H,8-9H2,(H,26,27)/t16-,17-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174282
PNG
(US9688669, Example 115)
Show SMILES Fc1ccc(cc1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H15F3N2O2/c21-16-5-3-14(4-6-16)18-17(25-19(26)27-18)15-7-12(10-24-11-15)1-2-13-8-20(22,23)9-13/h3-7,10-11,13,17-18H,8-9H2,(H,25,26)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174335
PNG
(US9688669, Example 122)
Show SMILES Fc1cc(F)c(cc1F)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H13F5N2O2/c21-14-5-16(23)15(22)4-13(14)18-17(27-19(28)29-18)12-3-10(8-26-9-12)1-2-11-6-20(24,25)7-11/h3-5,8-9,11,17-18H,6-7H2,(H,27,28)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174396
PNG
(US9688669, Example 125)
Show SMILES Clc1cccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC2)c1Cl |r|
Show InChI InChI=1S/C19H14Cl2N2O2/c20-15-3-1-2-14(16(15)21)18-17(23-19(24)25-18)13-8-12(9-22-10-13)7-6-11-4-5-11/h1-3,8-11,17-18H,4-5H2,(H,23,24)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174129
PNG
(US9688669, Example 6)
Show SMILES CCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
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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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174156
PNG
(US9688669, Example 24)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCOc1ccccc1 |r|
Show InChI InChI=1S/C23H17FN2O3/c24-19-8-4-7-17(13-19)22-21(26-23(27)29-22)18-12-16(14-25-15-18)6-5-11-28-20-9-2-1-3-10-20/h1-4,7-10,12-15,21-22H,11H2,(H,26,27)/t21-,22-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174164
PNG
(US9688669, Example 31)
Show SMILES Cc1ccnn1CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H17FN4O2/c1-14-7-8-24-26(14)9-3-4-15-10-17(13-23-12-15)19-20(28-21(27)25-19)16-5-2-6-18(22)11-16/h2,5-8,10-13,19-20H,9H2,1H3,(H,25,27)/t19-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174165
PNG
(US9688669, Example 32)
Show SMILES CCC(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C19H17FN2O3/c1-2-16(23)7-6-12-8-14(11-21-10-12)17-18(25-19(24)22-17)13-4-3-5-15(20)9-13/h3-5,8-11,16-18,23H,2H2,1H3,(H,22,24)/t16?,17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174174
PNG
(US9688669, Example 35)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCCC#N |r|
Show InChI InChI=1S/C19H14FN3O2/c20-16-7-4-6-14(10-16)18-17(23-19(24)25-18)15-9-13(11-22-12-15)5-2-1-3-8-21/h4,6-7,9-12,17-18H,1,3H2,(H,23,24)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174176
PNG
(US9688669, Example 37)
Show SMILES COCC(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O4/c1-26-12-17(24)7-2-4-13-8-15(11-22-10-13)18-19(27-20(25)23-18)14-5-3-6-16(21)9-14/h3,5-6,8-11,17-19,24H,7,12H2,1H3,(H,23,25)/t17?,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174179
PNG
(US9688669, Example 40)
Show SMILES CC(C)(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O3/c1-20(2,25)8-4-5-13-9-15(12-22-11-13)17-18(26-19(24)23-17)14-6-3-7-16(21)10-14/h3,6-7,9-12,17-18,25H,8H2,1-2H3,(H,23,24)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174182
PNG
(US9688669, Example 43)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCc1ccccc1 |r|
Show InChI InChI=1S/C23H17FN2O2/c24-20-11-5-10-18(13-20)22-21(26-23(27)28-22)19-12-17(14-25-15-19)9-4-8-16-6-2-1-3-7-16/h1-3,5-7,10-15,21-22H,8H2,(H,26,27)/t21-,22-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174193
PNG
(US9688669, Example 49)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1N=CC2C=CC=CC12 |r,c:26,29,31|
Show InChI InChI=1S/C24H19FN4O2/c25-20-8-3-7-17(12-20)23-22(28-24(30)31-23)19-11-16(13-26-14-19)5-4-10-29-21-9-2-1-6-18(21)15-27-29/h1-3,6-9,11-15,18,21-23H,10H2,(H,28,30)/t18?,21?,22-,23-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174231
PNG
(US9688669, Example 62)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCn1cccn1 |r|
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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174251
PNG
(US9688669, Example 82)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC12CCC(CC1)CC2 |r|
Show InChI InChI=1S/C24H22F2N2O2/c25-18-1-2-20(26)19(12-18)22-21(28-23(29)30-22)17-11-16(13-27-14-17)6-10-24-7-3-15(4-8-24)5-9-24/h1-2,11-15,21-22H,3-5,7-9H2,(H,28,29)/t15?,21-,22-,24?/m1/s1
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n/an/an/an/a 1.31E+3n/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174254
PNG
(US9688669, Example 85)
Show SMILES OC1(CCCCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H21FN2O3/c23-18-6-4-5-16(12-18)20-19(25-21(26)28-20)17-11-15(13-24-14-17)7-10-22(27)8-2-1-3-9-22/h4-6,11-14,19-20,27H,1-3,8-9H2,(H,25,26)/t19-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174258
PNG
(US9688669, Example 89)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCC1 |r|
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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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174262
PNG
(US9688669, Example 93)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOCC1 |r|
Show InChI InChI=1S/C21H19FN2O3/c22-18-3-1-2-16(11-18)20-19(24-21(25)27-20)17-10-15(12-23-13-17)5-4-14-6-8-26-9-7-14/h1-3,10-14,19-20H,6-9H2,(H,24,25)/t19-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174277
PNG
(US9688669, Example 110)
Show SMILES COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Show InChI InChI=1S/C21H18F2N2O3/c1-27-17-4-2-3-15(8-17)19-18(25-20(26)28-19)16-7-13(11-24-12-16)5-6-14-9-21(22,23)10-14/h2-4,7-8,11-12,14,18-19H,9-10H2,1H3,(H,25,26)/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174283
PNG
(US9688669, Example 116)
Show SMILES COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#CC1CC(F)(F)C1 |r|
Show InChI InChI=1S/C22H19F2NO3/c1-27-18-7-3-6-17(11-18)20-19(25-21(26)28-20)16-5-2-4-14(10-16)8-9-15-12-22(23,24)13-15/h2-7,10-11,15,19-20H,12-13H2,1H3,(H,25,26)/t19-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174284
PNG
(US9688669, Example 117)
Show SMILES Fc1cc(F)cc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H14F4N2O2/c21-15-4-13(5-16(22)6-15)18-17(26-19(27)28-18)14-3-11(9-25-10-14)1-2-12-7-20(23,24)8-12/h3-6,9-10,12,17-18H,7-8H2,(H,26,27)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174125
PNG
(US9688669, Example 4)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CC1 |r|
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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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(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 |r|
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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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174146
PNG
(US9688669, Example 19 | US9688669, Example 20 | US...)
Show SMILES CCC(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O3/c1-2-17(24)8-3-5-13-9-15(12-22-11-13)18-19(26-20(25)23-18)14-6-4-7-16(21)10-14/h4,6-7,9-12,17-19,24H,2,8H2,1H3,(H,23,25)/t17?,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174136
PNG
(US9688669, Example 12 | US9688669, Example 15 | US...)
Show SMILES CCCC(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O3/c1-2-4-17(24)8-7-13-9-15(12-22-11-13)18-19(26-20(25)23-18)14-5-3-6-16(21)10-14/h3,5-6,9-12,17-19,24H,2,4H2,1H3,(H,23,25)/t17?,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174157
PNG
(BDBM174161 | US9688669, Example 25)
Show SMILES CC(C)C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O3/c1-12(2)17(24)7-6-13-8-15(11-22-10-13)18-19(26-20(25)23-18)14-4-3-5-16(21)9-14/h3-5,8-12,17-19,24H,1-2H3,(H,23,25)/t17?,18-,19-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174250
PNG
(US9688669, Example 81)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCCC1 |r|
Show InChI InChI=1S/C22H20F2N2O2/c23-17-8-9-19(24)18(11-17)21-20(26-22(27)28-21)16-10-15(12-25-13-16)7-6-14-4-2-1-3-5-14/h8-14,20-21H,1-5H2,(H,26,27)/t20-,21-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174255
PNG
(US9688669, Example 86)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCC1 |r|
Show InChI InChI=1S/C21H19FN2O2/c22-18-7-3-6-16(11-18)20-19(24-21(25)26-20)17-10-15(12-23-13-17)9-8-14-4-1-2-5-14/h3,6-7,10-14,19-20H,1-2,4-5H2,(H,24,25)/t19-,20-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174259
PNG
(US9688669, Example 90)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC12CC1CCCC2 |r|
Show InChI InChI=1S/C23H21FN2O2/c24-19-6-3-4-16(11-19)21-20(26-22(27)28-21)17-10-15(13-25-14-17)7-9-23-8-2-1-5-18(23)12-23/h3-4,6,10-11,13-14,18,20-21H,1-2,5,8,12H2,(H,26,27)/t18?,20-,21-,23?/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174263
PNG
(US9688669, Example 94)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCOC1 |r|
Show InChI InChI=1S/C20H17FN2O3/c21-17-3-1-2-15(9-17)19-18(23-20(24)26-19)16-8-14(10-22-11-16)5-4-13-6-7-25-12-13/h1-3,8-11,13,18-19H,6-7,12H2,(H,23,24)/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174267
PNG
(US9688669, Example 98)
Show SMILES F[C@H]1C[C@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,1.0,wD:18.21,(-7.08,-3.45,;-5.75,-4.22,;-4.26,-3.82,;-3.86,-5.31,;-5.35,-5.71,;-2.53,-6.08,;-1.2,-6.85,;.14,-7.62,;.14,-9.16,;1.47,-9.93,;2.8,-9.16,;2.8,-7.62,;1.47,-6.85,;4.14,-6.85,;4.14,-5.31,;5.6,-4.83,;6.37,-3.5,;6.51,-6.08,;5.6,-7.33,;6,-8.81,;7.49,-9.21,;7.89,-10.7,;6.8,-11.79,;5.31,-11.39,;4.22,-12.48,;4.91,-9.9,)|
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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174269
PNG
(US9688669, Example 101)
Show SMILES COC1(CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)OC |r|
Show InChI InChI=1S/C22H21FN2O4/c1-27-22(28-2)10-15(11-22)7-6-14-8-17(13-24-12-14)19-20(29-21(26)25-19)16-4-3-5-18(23)9-16/h3-5,8-9,12-13,15,19-20H,10-11H2,1-2H3,(H,25,26)/t19-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174279
PNG
(US9688669, Example 112)
Show SMILES FC1(F)CC(C1)C#Cc1ccnc(c1)[C@H]1NC(=O)O[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H16F2N2O2/c21-20(22)11-14(12-20)7-6-13-8-9-23-16(10-13)17-18(26-19(25)24-17)15-4-2-1-3-5-15/h1-5,8-10,14,17-18H,11-12H2,(H,24,25)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174285
PNG
(US9688669, Example 118)
Show SMILES Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(F)c1F |r|
Show InChI InChI=1S/C20H13F5N2O2/c21-14-4-3-13(15(22)16(14)23)18-17(27-19(28)29-18)12-5-10(8-26-9-12)1-2-11-6-20(24,25)7-11/h3-5,8-9,11,17-18H,6-7H2,(H,27,28)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174391
PNG
(US9688669, Example 123)
Show SMILES Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(Cl)c1 |r|
Show InChI InChI=1S/C20H14ClF3N2O2/c21-16-6-14(22)3-4-15(16)18-17(26-19(27)28-18)13-5-11(9-25-10-13)1-2-12-7-20(23,24)8-12/h3-6,9-10,12,17-18H,7-8H2,(H,26,27)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(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 |r|
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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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174137
PNG
(US9688669, Example 13)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCCCC1 |r|
Show InChI InChI=1S/C23H23FN2O2/c24-20-11-5-10-18(13-20)22-21(26-23(27)28-22)19-12-17(14-25-15-19)9-4-8-16-6-2-1-3-7-16/h5,10-16,21-22H,1-3,6-8H2,(H,26,27)/t21-,22-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174146
PNG
(US9688669, Example 19 | US9688669, Example 20 | US...)
Show SMILES CCC(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O3/c1-2-17(24)8-3-5-13-9-15(12-22-11-13)18-19(26-20(25)23-18)14-6-4-7-16(21)10-14/h4,6-7,9-12,17-19,24H,2,8H2,1H3,(H,23,25)/t17?,18-,19-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174158
PNG
(US9688669, Example 26)
Show SMILES Cc1ccn(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)n1 |r|
Show InChI InChI=1S/C21H17FN4O2/c1-14-7-9-26(25-14)8-3-4-15-10-17(13-23-12-15)19-20(28-21(27)24-19)16-5-2-6-18(22)11-16/h2,5-7,9-13,19-20H,8H2,1H3,(H,24,27)/t19-,20-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174162
PNG
(US9688669, Example 29)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CC1(F)F |r|
Show InChI InChI=1S/C20H15F3N2O2/c21-16-6-2-4-13(8-16)18-17(25-19(26)27-18)14-7-12(10-24-11-14)3-1-5-15-9-20(15,22)23/h2,4,6-8,10-11,15,17-18H,5,9H2,(H,25,26)/t15?,17-,18-/m1/s1
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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174191
PNG
(US9688669, Example 47)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1CCCC1=O |r|
Show InChI InChI=1S/C21H18FN3O3/c22-17-6-1-5-15(11-17)20-19(24-21(27)28-20)16-10-14(12-23-13-16)4-2-8-25-9-3-7-18(25)26/h1,5-6,10-13,19-20H,3,7-9H2,(H,24,27)/t19-,20-/m1/s1
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n/an/an/an/a>1.61E+3n/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174192
PNG
(US9688669, Example 48)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCNC(=O)C(F)(F)F |r|
Show InChI InChI=1S/C19H13F4N3O3/c20-14-5-1-4-12(8-14)16-15(26-18(28)29-16)13-7-11(9-24-10-13)3-2-6-25-17(27)19(21,22)23/h1,4-5,7-10,15-16H,6H2,(H,25,27)(H,26,28)/t15-,16-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(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 |r|
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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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174207
PNG
(US9688669, Example 55)
Show SMILES CCOCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H21FN2O3/c1-2-26-10-5-3-4-7-15-11-17(14-23-13-15)19-20(27-21(25)24-19)16-8-6-9-18(22)12-16/h6,8-9,11-14,19-20H,2-3,5,10H2,1H3,(H,24,25)/t19-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174210
PNG
(US9688669, Example 56)
Show SMILES CCCCC(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H21FN2O3/c1-2-3-7-18(25)9-8-14-10-16(13-23-12-14)19-20(27-21(26)24-19)15-5-4-6-17(22)11-15/h4-6,10-13,18-20,25H,2-3,7H2,1H3,(H,24,26)/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174233
PNG
(US9688669, Example 64 | US9688669, Example 65 | US...)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCOC1 |r|
Show InChI InChI=1S/C21H19FN2O3/c22-18-6-2-5-16(10-18)20-19(24-21(25)27-20)17-9-15(11-23-12-17)4-1-3-14-7-8-26-13-14/h2,5-6,9-12,14,19-20H,3,7-8,13H2,(H,24,25)/t14?,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174239
PNG
(US9688669, Example 70)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H16F3N3O2/c21-16-5-1-4-14(8-16)18-17(25-19(27)28-18)15-7-13(9-24-10-15)3-2-6-26-11-20(22,23)12-26/h1,4-5,7-10,17-18H,6,11-12H2,(H,25,27)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174253
PNG
(US9688669, Example 84)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC12CCC(CC1)CC2 |r|
Show InChI InChI=1S/C24H23FN2O2/c25-20-3-1-2-18(13-20)22-21(27-23(28)29-22)19-12-17(14-26-15-19)7-11-24-8-4-16(5-9-24)6-10-24/h1-3,12-16,21-22H,4-6,8-10H2,(H,27,28)/t16?,21-,22-,24?/m1/s1
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n/an/an/an/a 3.67E+3n/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174256
PNG
(US9688669, Example 87)
Show SMILES CC1(CCCCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C23H23FN2O2/c1-23(9-3-2-4-10-23)11-8-16-12-18(15-25-14-16)20-21(28-22(27)26-20)17-6-5-7-19(24)13-17/h5-7,12-15,20-21H,2-4,9-10H2,1H3,(H,26,27)/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174257
PNG
(US9688669, Example 88)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC1 |r|
Show InChI InChI=1S/C19H15FN2O2/c20-16-3-1-2-14(9-16)18-17(22-19(23)24-18)15-8-13(10-21-11-15)7-6-12-4-5-12/h1-3,8-12,17-18H,4-5H2,(H,22,23)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174270
PNG
(US9688669, Example 102)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(=O)C1 |r|
Show InChI InChI=1S/C20H15FN2O3/c21-16-3-1-2-14(9-16)19-18(23-20(25)26-19)15-6-13(10-22-11-15)5-4-12-7-17(24)8-12/h1-3,6,9-12,18-19H,7-8H2,(H,23,25)/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174280
PNG
(US9688669, Example 113)
Show SMILES FC1(F)CC(C1)C#Cc1cccc(n1)[C@H]1NC(=O)O[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H16F2N2O2/c21-20(22)11-13(12-20)9-10-15-7-4-8-16(23-15)17-18(26-19(25)24-17)14-5-2-1-3-6-14/h1-8,13,17-18H,11-12H2,(H,24,25)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174140
PNG
(US9688669, Example 14)
Show SMILES OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CCC1 |r|
Show InChI InChI=1S/C21H19FN2O3/c22-17-6-2-5-15(10-17)20-19(24-21(26)27-20)16-9-13(11-23-12-16)7-8-18(25)14-3-1-4-14/h2,5-6,9-12,14,18-20,25H,1,3-4H2,(H,24,26)/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174143
PNG
(US9688669, Example 17)
Show SMILES COCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C19H17FN2O3/c1-24-8-3-2-5-13-9-15(12-21-11-13)17-18(25-19(23)22-17)14-6-4-7-16(20)10-14/h4,6-7,9-12,17-18H,3,8H2,1H3,(H,22,23)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174144
PNG
(US9688669, Example 18)
Show SMILES OCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C19H17FN2O3/c20-16-7-4-6-14(10-16)18-17(22-19(24)25-18)15-9-13(11-21-12-15)5-2-1-3-8-23/h4,6-7,9-12,17-18,23H,1,3,8H2,(H,22,24)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174175
PNG
(US9688669, Example 36)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCN1CCOCC1 |r|
Show InChI InChI=1S/C21H20FN3O3/c22-18-5-1-4-16(12-18)20-19(24-21(26)28-20)17-11-15(13-23-14-17)3-2-6-25-7-9-27-10-8-25/h1,4-5,11-14,19-20H,6-10H2,(H,24,26)/t19-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174188
PNG
(US9688669, Example 45)
Show SMILES CC(=O)NCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C19H16FN3O3/c1-12(24)22-7-3-4-13-8-15(11-21-10-13)17-18(26-19(25)23-17)14-5-2-6-16(20)9-14/h2,5-6,8-11,17-18H,7H2,1H3,(H,22,24)(H,23,25)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174189
PNG
(US9688669, Example 46)
Show SMILES OC1(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)CCC1 |r|
Show InChI InChI=1S/C21H19FN2O3/c22-17-6-1-5-15(11-17)19-18(24-20(25)27-19)16-10-14(12-23-13-16)4-2-7-21(26)8-3-9-21/h1,5-6,10-13,18-19,26H,3,7-9H2,(H,24,25)/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174194
PNG
(US9688669, Example 50)
Show SMILES CC(C)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C19H17FN2O2/c1-12(2)6-7-13-8-15(11-21-10-13)17-18(24-19(23)22-17)14-4-3-5-16(20)9-14/h3-5,8-12,17-18H,1-2H3,(H,22,23)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174206
PNG
(US9688669, Example 54)
Show SMILES CC1CN(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)N=C1 |r,c:29|
Show InChI InChI=1S/C21H19FN4O2/c1-14-10-24-26(13-14)7-3-4-15-8-17(12-23-11-15)19-20(28-21(27)25-19)16-5-2-6-18(22)9-16/h2,5-6,8-12,14,19-20H,7,13H2,1H3,(H,25,27)/t14?,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174212
PNG
(US9688669, Example 57 | US9688669, Example 58 | US...)
Show SMILES OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CC1 |r|
Show InChI InChI=1S/C20H17FN2O3/c21-16-3-1-2-14(9-16)19-18(23-20(25)26-19)15-8-12(10-22-11-15)4-7-17(24)13-5-6-13/h1-3,8-11,13,17-19,24H,5-6H2,(H,23,25)/t17?,18-,19-/m1/s1
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n/an/an/an/a 204n/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174212
PNG
(US9688669, Example 57 | US9688669, Example 58 | US...)
Show SMILES OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CC1 |r|
Show InChI InChI=1S/C20H17FN2O3/c21-16-3-1-2-14(9-16)19-18(23-20(25)26-19)15-8-12(10-22-11-15)4-7-17(24)13-5-6-13/h1-3,8-11,13,17-19,24H,5-6H2,(H,23,25)/t17?,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174240
PNG
(US9688669, Example 71)
Show SMILES Cc1cn(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)cn1 |r|
Show InChI InChI=1S/C21H17FN4O2/c1-14-12-26(13-24-14)7-3-4-15-8-17(11-23-10-15)19-20(28-21(27)25-19)16-5-2-6-18(22)9-16/h2,5-6,8-13,19-20H,7H2,1H3,(H,25,27)/t19-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174246
PNG
(US9688669, Example 77 | US9688669, Example 78)
Show SMILES CC1(C)CC1C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H21FN2O3/c1-22(2)10-17(22)18(26)7-6-13-8-15(12-24-11-13)19-20(28-21(27)25-19)14-4-3-5-16(23)9-14/h3-5,8-9,11-12,17-20,26H,10H2,1-2H3,(H,25,27)/t17?,18?,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174249
PNG
(US9688669, Example 80)
Show SMILES COc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cccc(c1)C#CC1CC1 |r|
Show InChI InChI=1S/C21H19NO3/c1-24-18-7-3-6-17(13-18)20-19(22-21(23)25-20)16-5-2-4-15(12-16)11-10-14-8-9-14/h2-7,12-14,19-20H,8-9H2,1H3,(H,22,23)/t19-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174252
PNG
(US9688669, Example 83)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCCC1 |r|
Show InChI InChI=1S/C22H21FN2O2/c23-19-8-4-7-17(12-19)21-20(25-22(26)27-21)18-11-16(13-24-14-18)10-9-15-5-2-1-3-6-15/h4,7-8,11-15,20-21H,1-3,5-6H2,(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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174091
PNG
(US9688669, Example 1)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCC1 |r|
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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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174100
PNG
(US9688669, Example 3)
Show SMILES CCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
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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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(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 |r|
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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174177
PNG
(US9688669, Example 38)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCOC1CCCCO1 |r|
Show InChI InChI=1S/C22H21FN2O4/c23-18-7-3-6-16(12-18)21-20(25-22(26)29-21)17-11-15(13-24-14-17)5-4-10-28-19-8-1-2-9-27-19/h3,6-7,11-14,19-21H,1-2,8-10H2,(H,25,26)/t19?,20-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174195
PNG
(US9688669, Example 51)
Show SMILES CCCCCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
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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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174232
PNG
(US9688669, Example 63)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCCO1 |r|
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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174233
PNG
(US9688669, Example 64 | US9688669, Example 65 | US...)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCOC1 |r|
Show InChI InChI=1S/C21H19FN2O3/c22-18-6-2-5-16(10-18)20-19(24-21(25)27-20)17-9-15(11-23-12-17)4-1-3-14-7-8-26-13-14/h2,5-6,9-12,14,19-20H,3,7-8,13H2,(H,24,25)/t14?,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174242
PNG
(US9688669, Example 73 | US9688669, Example 74)
Show SMILES OC(CC1CCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H21FN2O3/c23-18-6-2-5-16(11-18)21-20(25-22(27)28-21)17-9-15(12-24-13-17)7-8-19(26)10-14-3-1-4-14/h2,5-6,9,11-14,19-21,26H,1,3-4,10H2,(H,25,27)/t19?,20-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174246
PNG
(US9688669, Example 77 | US9688669, Example 78)
Show SMILES CC1(C)CC1C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H21FN2O3/c1-22(2)10-17(22)18(26)7-6-13-8-15(12-24-11-13)19-20(28-21(27)25-19)14-4-3-5-16(23)9-14/h3-5,8-9,11-12,17-20,26H,10H2,1-2H3,(H,25,27)/t17?,18?,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174260
PNG
(US9688669, Example 91)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1(F)CCCCC1 |r|
Show InChI InChI=1S/C22H20F2N2O2/c23-18-6-4-5-16(12-18)20-19(26-21(27)28-20)17-11-15(13-25-14-17)7-10-22(24)8-2-1-3-9-22/h4-6,11-14,19-20H,1-3,8-9H2,(H,26,27)/t19-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(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 |r,wU:13.14,1.0,wD:18.21,3.5,(-7.08,-3.45,;-5.75,-4.22,;-4.26,-3.82,;-3.86,-5.31,;-5.35,-5.71,;-2.53,-6.08,;-1.2,-6.85,;.14,-7.62,;.14,-9.16,;1.47,-9.93,;2.8,-9.16,;2.8,-7.62,;1.47,-6.85,;4.14,-6.85,;4.14,-5.31,;5.6,-4.83,;6.37,-3.5,;6.51,-6.08,;5.6,-7.33,;6,-8.81,;7.49,-9.21,;7.89,-10.7,;6.8,-11.79,;5.31,-11.39,;4.22,-12.48,;4.91,-9.9,)|
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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174276
PNG
(US9688669, Example 109)
Show SMILES Fc1ccc(F)c(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H14F4N2O2/c21-14-3-4-16(22)15(6-14)18-17(26-19(27)28-18)13-5-11(9-25-10-13)1-2-12-7-20(23,24)8-12/h3-6,9-10,12,17-18H,7-8H2,(H,26,27)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174281
PNG
(US9688669, Example 114)
Show SMILES FC1(F)CC(C1)C#Cc1cc(ccn1)[C@H]1NC(=O)O[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C20H16F2N2O2/c21-20(22)11-13(12-20)6-7-16-10-15(8-9-23-16)17-18(26-19(25)24-17)14-4-2-1-3-5-14/h1-5,8-10,13,17-18H,11-12H2,(H,24,25)/t17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174092
PNG
(US9688669, Example 2)
Show SMILES CCSCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
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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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174135
PNG
(US9688669, Example 11)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCOCC1 |r|
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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174136
PNG
(US9688669, Example 12 | US9688669, Example 15 | US...)
Show SMILES CCCC(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O3/c1-2-4-17(24)8-7-13-9-15(12-22-11-13)18-19(26-20(25)23-18)14-5-3-6-16(21)10-14/h3,5-6,9-12,17-19,24H,2,4H2,1H3,(H,23,25)/t17?,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174142
PNG
(US9688669, Example 16)
Show SMILES CCC(C)(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O3/c1-3-20(2,25)8-7-13-9-15(12-22-11-13)17-18(26-19(24)23-17)14-5-4-6-16(21)10-14/h4-6,9-12,17-18,25H,3H2,1-2H3,(H,23,24)/t17-,18-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174151
PNG
(US9688669, Example 23)
Show SMILES CCCC(C)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H21FN2O2/c1-3-5-14(2)8-9-15-10-17(13-23-12-15)19-20(26-21(25)24-19)16-6-4-7-18(22)11-16/h4,6-7,10-14,19-20H,3,5H2,1-2H3,(H,24,25)/t14?,19-,20-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174205
PNG
(US9688669, Example 53)
Show SMILES CCOCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C19H17FN2O3/c1-2-24-8-4-5-13-9-15(12-21-11-13)17-18(25-19(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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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174229
PNG
(US9688669, Example 60)
Show SMILES COCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C18H15FN2O3/c1-23-7-3-4-12-8-14(11-20-10-12)16-17(24-18(22)21-16)13-5-2-6-15(19)9-13/h2,5-6,8-11,16-17H,7H2,1H3,(H,21,22)/t16-,17-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174233
PNG
(US9688669, Example 64 | US9688669, Example 65 | US...)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CCOC1 |r|
Show InChI InChI=1S/C21H19FN2O3/c22-18-6-2-5-16(10-18)20-19(24-21(25)27-20)17-9-15(11-23-12-17)4-1-3-14-7-8-26-13-14/h2,5-6,9-12,14,19-20H,3,7-8,13H2,(H,24,25)/t14?,19-,20-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174236
PNG
(US9688669, Example 67)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCCOCC(F)(F)F |r|
Show InChI InChI=1S/C20H16F4N2O3/c21-16-6-3-5-14(9-16)18-17(26-19(27)29-18)15-8-13(10-25-11-15)4-1-2-7-28-12-20(22,23)24/h3,5-6,8-11,17-18H,2,7,12H2,(H,26,27)/t17-,18-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174237
PNG
(US9688669, Example 68)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1COC1 |r|
Show InChI InChI=1S/C20H17FN2O3/c21-17-6-2-5-15(8-17)19-18(23-20(24)26-19)16-7-13(9-22-10-16)3-1-4-14-11-25-12-14/h2,5-10,14,18-19H,4,11-12H2,(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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174248
PNG
(US9688669, Example 79)
Show SMILES CN(C)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C19H18FN3O2/c1-23(2)8-4-5-13-9-15(12-21-11-13)17-18(25-19(24)22-17)14-6-3-7-16(20)10-14/h3,6-7,9-12,17-18H,8H2,1-2H3,(H,22,24)/t17-,18-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174264
PNG
(US9688669, Example 95)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCCO1 |r|
Show InChI InChI=1S/C20H17FN2O3/c21-16-4-1-3-14(10-16)19-18(23-20(24)26-19)15-9-13(11-22-12-15)6-7-17-5-2-8-25-17/h1,3-4,9-12,17-19H,2,5,8H2,(H,23,24)/t17?,18-,19-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174271
PNG
(US9688669, Example 103)
Show SMILES O[C@H]1C[C@H](C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r,wU:13.14,3.5,1.0,wD:18.21,(-7.49,4.51,;-6.15,3.74,;-4.66,4.14,;-4.27,2.65,;-5.75,2.26,;-2.93,1.88,;-1.6,1.11,;-.26,.34,;-.26,-1.2,;1.07,-1.97,;2.4,-1.2,;2.4,.34,;1.07,1.11,;3.74,1.11,;3.74,2.65,;5.2,3.13,;5.97,4.46,;6.11,1.88,;5.2,.64,;5.6,-.85,;7.09,-1.25,;7.49,-2.73,;6.4,-3.82,;4.91,-3.42,;3.82,-4.51,;4.51,-1.94,)|
Show InChI InChI=1S/C20H17FN2O3/c21-16-3-1-2-14(9-16)19-18(23-20(25)26-19)15-6-13(10-22-11-15)5-4-12-7-17(24)8-12/h1-3,6,9-12,17-19,24H,7-8H2,(H,23,25)/t12-,17+,18-,19-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174306
PNG
(US9688669, Example 120)
Show SMILES Fc1ccc([C@H]2OC(=O)N[C@@H]2c2cncc(c2)C#CC2CC(F)(F)C2)c(F)c1 |r|
Show InChI InChI=1S/C20H14F4N2O2/c21-14-3-4-15(16(22)6-14)18-17(26-19(27)28-18)13-5-11(9-25-10-13)1-2-12-7-20(23,24)8-12/h3-6,9-10,12,17-18H,7-8H2,(H,26,27)/t17-,18-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174392
PNG
(US9688669, Example 124)
Show SMILES FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(Cl)c1Cl |r|
Show InChI InChI=1S/C20H14Cl2F2N2O2/c21-15-3-1-2-14(16(15)22)18-17(26-19(27)28-18)13-6-11(9-25-10-13)4-5-12-7-20(23,24)8-12/h1-3,6,9-10,12,17-18H,7-8H2,(H,26,27)/t17-,18-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(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 |r|
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

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174146
PNG
(US9688669, Example 19 | US9688669, Example 20 | US...)
Show SMILES CCC(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O3/c1-2-17(24)8-3-5-13-9-15(12-22-11-13)18-19(26-20(25)23-18)14-6-4-7-16(21)10-14/h4,6-7,9-12,17-19,24H,2,8H2,1H3,(H,23,25)/t17?,18-,19-/m1/s1
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Bristol-Myers Squibb Company

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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174178
PNG
(US9688669, Example 39)
Show SMILES OC1(CCCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H19FN2O3/c22-17-5-3-4-15(11-17)19-18(24-20(25)27-19)16-10-14(12-23-13-16)6-9-21(26)7-1-2-8-21/h3-5,10-13,18-19,26H,1-2,7-8H2,(H,24,25)/t18-,19-/m1/s1
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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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174181
PNG
(US9688669, Example 42)
Show SMILES CC(O)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C19H17FN2O3/c1-12(23)4-2-5-13-8-15(11-21-10-13)17-18(25-19(24)22-17)14-6-3-7-16(20)9-14/h3,6-12,17-18,23H,4H2,1H3,(H,22,24)/t12?,17-,18-/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174184
PNG
(US9688669, Example 44)
Show SMILES CN(C)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H20FN3O2/c1-24(2)9-4-3-6-14-10-16(13-22-12-14)18-19(26-20(25)23-18)15-7-5-8-17(21)11-15/h5,7-8,10-13,18-19H,4,9H2,1-2H3,(H,23,25)/t18-,19-/m1/s1
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n/an/an/an/a>1.61E+3n/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174212
PNG
(US9688669, Example 57 | US9688669, Example 58 | US...)
Show SMILES OC(C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1)C1CC1 |r|
Show InChI InChI=1S/C20H17FN2O3/c21-16-3-1-2-14(9-16)19-18(23-20(25)26-19)15-8-12(10-22-11-15)4-7-17(24)13-5-6-13/h1-3,8-11,13,17-19,24H,5-6H2,(H,23,25)/t17?,18-,19-/m1/s1
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n/an/an/an/a 77n/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174230
PNG
(US9688669, Example 61)
Show SMILES CC(C)(C)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C20H19FN2O2/c1-20(2,3)8-7-13-9-15(12-22-11-13)17-18(25-19(24)23-17)14-5-4-6-16(21)10-14/h4-6,9-12,17-18H,1-3H3,(H,23,24)/t17-,18-/m1/s1
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n/an/an/an/a>3.23E+3n/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174242
PNG
(US9688669, Example 73 | US9688669, Example 74)
Show SMILES OC(CC1CCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H21FN2O3/c23-18-6-2-5-16(11-18)21-20(25-22(27)28-21)17-9-15(12-24-13-17)7-8-19(26)10-14-3-1-4-14/h2,5-6,9,11-14,19-21,26H,1,3-4,10H2,(H,25,27)/t19?,20-,21-/m1/s1
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n/an/an/an/a 28n/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174244
PNG
(US9688669, Example 75)
Show SMILES CC1CC1C(O)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r|
Show InChI InChI=1S/C21H19FN2O3/c1-12-7-17(12)18(25)6-5-13-8-15(11-23-10-13)19-20(27-21(26)24-19)14-3-2-4-16(22)9-14/h2-4,8-12,17-20,25H,7H2,1H3,(H,24,26)/t12?,17?,18?,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174261
PNG
(US9688669, Example 92)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CCC(F)(F)CC1 |r|
Show InChI InChI=1S/C22H19F3N2O2/c23-18-3-1-2-16(11-18)20-19(27-21(28)29-20)17-10-15(12-26-13-17)5-4-14-6-8-22(24,25)9-7-14/h1-3,10-14,19-20H,6-9H2,(H,27,28)/t19-,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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174265
PNG
(US9688669, Example 96)
Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1COC1 |r|
Show InChI InChI=1S/C19H15FN2O3/c20-16-3-1-2-14(7-16)18-17(22-19(23)25-18)15-6-12(8-21-9-15)4-5-13-10-24-11-13/h1-3,6-9,13,17-18H,10-11H2,(H,22,23)/t17-,18-/m1/s1
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n/an/an/an/a>3.23E+3n/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174274
PNG
(US9688669, Example 107)
Show SMILES FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(c1)[N+]#[C-] |r|
Show InChI InChI=1S/C21H15F2N3O2/c1-24-17-4-2-3-15(8-17)19-18(26-20(27)28-19)16-7-13(11-25-12-16)5-6-14-9-21(22,23)10-14/h2-4,7-8,11-12,14,18-19H,9-10H2,(H,26,27)/t18-,19-/m1/s1
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n/an/an/an/a 280n/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174275
PNG
(US9688669, Example 108)
Show SMILES FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C20H15ClF2N2O2/c21-16-3-1-2-14(7-16)18-17(25-19(26)27-18)15-6-12(10-24-11-15)4-5-13-8-20(22,23)9-13/h1-3,6-7,10-11,13,17-18H,8-9H2,(H,25,26)/t17-,18-/m1/s1
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n/an/an/an/a 66n/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174286
PNG
(US9688669, Example 119)
Show SMILES Fc1ccc(cc1F)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H14F4N2O2/c21-15-4-3-13(6-16(15)22)18-17(26-19(27)28-18)14-5-11(9-25-10-14)1-2-12-7-20(23,24)8-12/h3-6,9-10,12,17-18H,7-8H2,(H,26,27)/t17-,18-/m1/s1
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n/an/an/an/a 22n/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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174331
PNG
(US9688669, Example 121)
Show SMILES FC1(F)CC(C1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1ccc(Cl)cc1 |r|
Show InChI InChI=1S/C20H15ClF2N2O2/c21-16-5-3-14(4-6-16)18-17(25-19(26)27-18)15-7-12(10-24-11-15)1-2-13-8-20(22,23)9-13/h3-7,10-11,13,17-18H,8-9H2,(H,25,26)/t17-,18-/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
* indicates data uncertainty>20%