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USPatent US9550778

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211451
PNG
(US9550778, chem-us-00186)
Show SMILES COc1cccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
Show InChI InChI=1S/C19H16N6O2/c1-12-6-7-20-9-15(12)13-8-14(18-21-11-22-25(18)10-13)19(26)24-16-4-3-5-17(23-16)27-2/h3-11H,1-2H3,(H,23,24,26)
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n/an/a>10n/an/an/an/a7.425



Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212381
PNG
(US9550778, chem-us-00223)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccn(C)n2)n1
Show InChI InChI=1S/C15H13N7OS/c1-9-7-24-15(18-9)19-14(23)11-5-10(12-3-4-21(2)20-12)6-22-13(11)16-8-17-22/h3-8H,1-2H3,(H,18,19,23)
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n/an/a>10n/an/an/an/a7.425



Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212255
PNG
(US9550778, chem-us-00211)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cncc(c2)C(F)(F)F)n1
Show InChI InChI=1S/C17H11F3N6OS/c1-9-7-28-16(24-9)25-15(27)13-3-11(6-26-14(13)22-8-23-26)10-2-12(5-21-4-10)17(18,19)20/h2-8H,1H3,(H,24,25,27)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212251
PNG
(US9550778, chem-us-00207)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc(C)cc(C)c2)n1
Show InChI InChI=1S/C19H17N5OS/c1-11-4-12(2)6-14(5-11)15-7-16(17-20-10-21-24(17)8-15)18(25)23-19-22-13(3)9-26-19/h4-10H,1-3H3,(H,22,23,25)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211552
PNG
(US9550778, chem-us-00202)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3n(C)ncc3c2)n1
Show InChI InChI=1S/C19H15N7OS/c1-11-9-28-19(23-11)24-18(27)15-6-14(8-26-17(15)20-10-22-26)12-3-4-16-13(5-12)7-21-25(16)2/h3-10H,1-2H3,(H,23,24,27)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212379
PNG
(US9550778, chem-us-00221)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccnnc2)n1
Show InChI InChI=1S/C15H11N7OS/c1-9-7-24-15(20-9)21-14(23)12-4-11(10-2-3-17-18-5-10)6-22-13(12)16-8-19-22/h2-8H,1H3,(H,20,21,23)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212152
PNG
(US9550778, chem-us-00204)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccc3cnn(C)c23)n1
Show InChI InChI=1S/C19H15N7OS/c1-11-9-28-19(23-11)24-18(27)15-6-13(8-26-17(15)20-10-22-26)14-5-3-4-12-7-21-25(2)16(12)14/h3-10H,1-2H3,(H,23,24,27)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211454
PNG
(US9550778, chem-us-00189)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3ncccc3c2)n1
Show InChI InChI=1S/C20H14N6OS/c1-12-10-28-20(24-12)25-19(27)16-8-15(9-26-18(16)22-11-23-26)13-4-5-17-14(7-13)3-2-6-21-17/h2-11H,1H3,(H,24,25,27)
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US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212153
PNG
(US9550778, chem-us-00205)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3cnn(C)c3c2)n1
Show InChI InChI=1S/C19H15N7OS/c1-11-9-28-19(23-11)24-18(27)15-5-14(8-26-17(15)20-10-22-26)12-3-4-13-7-21-25(2)16(13)6-12/h3-10H,1-2H3,(H,23,24,27)
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US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211133
PNG
(US9550778, chem-us-00182)
Show SMILES Cc1ccncc1-c1cc(C(=O)Nc2ccc(F)cn2)c2ncnn2c1
Show InChI InChI=1S/C18H13FN6O/c1-11-4-5-20-8-15(11)12-6-14(17-22-10-23-25(17)9-12)18(26)24-16-3-2-13(19)7-21-16/h2-10H,1H3,(H,21,24,26)
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US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211551
PNG
(US9550778, chem-us-00201)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3n(C)ccc3c2)n1
Show InChI InChI=1S/C20H16N6OS/c1-12-10-28-20(23-12)24-19(27)16-8-15(9-26-18(16)21-11-22-26)13-3-4-17-14(7-13)5-6-25(17)2/h3-11H,1-2H3,(H,23,24,27)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211547
PNG
(US9550778, chem-us-00197)
Show SMILES COc1cnc(cn1)-c1cc(C(=O)Nc2nc(C)cs2)c2ncnn2c1
Show InChI InChI=1S/C16H13N7O2S/c1-9-7-26-16(21-9)22-15(24)11-3-10(6-23-14(11)19-8-20-23)12-4-18-13(25-2)5-17-12/h3-8H,1-2H3,(H,21,22,24)
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US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211546
PNG
(US9550778, chem-us-00196)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccnc(C)c2)n1
Show InChI InChI=1S/C17H14N6OS/c1-10-5-12(3-4-18-10)13-6-14(15-19-9-20-23(15)7-13)16(24)22-17-21-11(2)8-25-17/h3-9H,1-2H3,(H,21,22,24)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212266
PNG
(US9550778, chem-us-00215)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnn(C)c2)n1
Show InChI InChI=1S/C15H13N7OS/c1-9-7-24-15(19-9)20-14(23)12-3-10(11-4-17-21(2)5-11)6-22-13(12)16-8-18-22/h3-8H,1-2H3,(H,19,20,23)
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US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211663
PNG
(US9550778, chem-us-00203)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc3ccccc3o2)n1
Show InChI InChI=1S/C19H13N5O2S/c1-11-9-27-19(22-11)23-18(25)14-6-13(8-24-17(14)20-10-21-24)16-7-12-4-2-3-5-15(12)26-16/h2-10H,1H3,(H,22,23,25)
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US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212433
PNG
(US9550778, chem-us-00231)
Show SMILES Cc1cc(nn1)-c1cc(C(=O)Nc2ccc(F)cn2)c2ncnn2c1
Show InChI InChI=1S/C16H11FN7O/c1-9-4-13(23-22-9)10-5-12(15-19-8-20-24(15)7-10)16(25)21-14-3-2-11(17)6-18-14/h2-8H,1H3,(H,18,21,25)
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US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211543
PNG
(US9550778, chem-us-00193)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc3occc3c2)n1
Show InChI InChI=1S/C19H13N5O2S/c1-11-9-27-19(22-11)23-18(25)15-7-14(8-24-17(15)20-10-21-24)12-2-3-16-13(6-12)4-5-26-16/h2-10H,1H3,(H,22,23,25)
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US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212377
PNG
(US9550778, chem-us-00219)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc(C)n[nH]2)n1
Show InChI InChI=1S/C15H13N7OS/c1-8-3-12(21-20-8)10-4-11(13-16-7-17-22(13)5-10)14(23)19-15-18-9(2)6-24-15/h3-7H,1-2H3,(H,20,21)(H,18,19,23)
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US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211452
PNG
(US9550778, chem-us-00187)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
Show InChI InChI=1S/C17H14N6OS/c1-10-3-4-18-6-14(10)12-5-13(15-19-9-20-23(15)7-12)16(24)22-17-21-11(2)8-25-17/h3-9H,1-2H3,(H,21,22,24)
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US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211091
PNG
(US9550778, chem-us-00181)
Show SMILES Cc1ccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)nc1
Show InChI InChI=1S/C19H16N6O/c1-12-3-4-17(21-8-12)24-19(26)15-7-14(10-25-18(15)22-11-23-25)16-9-20-6-5-13(16)2/h3-11H,1-2H3,(H,21,24,26)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211448
PNG
(US9550778, chem-us-00183)
Show SMILES Cc1ccncc1-c1cc(C(=O)Nc2ccccn2)c2ncnn2c1
Show InChI InChI=1S/C18H14N6O/c1-12-5-7-19-9-15(12)13-8-14(17-21-11-22-24(17)10-13)18(25)23-16-4-2-3-6-20-16/h2-11H,1H3,(H,20,23,25)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212374
PNG
(US9550778, chem-us-00216)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccnn2C)n1
Show InChI InChI=1S/C15H13N7OS/c1-9-7-24-15(19-9)20-14(23)11-5-10(12-3-4-17-21(12)2)6-22-13(11)16-8-18-22/h3-8H,1-2H3,(H,19,20,23)
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US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211453
PNG
(US9550778, chem-us-00188)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccccc2)n1
Show InChI InChI=1S/C17H13N5OS/c1-11-9-24-17(20-11)21-16(23)14-7-13(12-5-3-2-4-6-12)8-22-15(14)18-10-19-22/h2-10H,1H3,(H,20,21,23)
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US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211455
PNG
(US9550778, chem-us-00190)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccnc2)n1
Show InChI InChI=1S/C16H12N6OS/c1-10-8-24-16(20-10)21-15(23)13-5-12(11-3-2-4-17-6-11)7-22-14(13)18-9-19-22/h2-9H,1H3,(H,20,21,23)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211456
PNG
(US9550778, chem-us-00191)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc(C)nn2C)n1
Show InChI InChI=1S/C16H15N7OS/c1-9-4-13(22(3)21-9)11-5-12(14-17-8-18-23(14)6-11)15(24)20-16-19-10(2)7-25-16/h4-8H,1-3H3,(H,19,20,24)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212376
PNG
(US9550778, chem-us-00218)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cncnc2)n1
Show InChI InChI=1S/C15H11N7OS/c1-9-6-24-15(20-9)21-14(23)12-2-10(11-3-16-7-17-4-11)5-22-13(12)18-8-19-22/h2-8H,1H3,(H,20,21,23)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212264
PNG
(US9550778, chem-us-00214)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccc(F)c2)n1
Show InChI InChI=1S/C17H12FN5OS/c1-10-8-25-17(21-10)22-16(24)14-6-12(7-23-15(14)19-9-20-23)11-3-2-4-13(18)5-11/h2-9H,1H3,(H,21,22,24)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211450
PNG
(US9550778, chem-us-00185)
Show SMILES Cc1cccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
Show InChI InChI=1S/C19H16N6O/c1-12-6-7-20-9-16(12)14-8-15(18-21-11-22-25(18)10-14)19(26)24-17-5-3-4-13(2)23-17/h3-11H,1-2H3,(H,23,24,26)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212387
PNG
(US9550778, chem-us-00229)
Show SMILES Cc1cc(-c2cc(C(=O)Nc3cccc(F)n3)c3ncnn3c2)n(C)n1
Show InChI InChI=1S/C17H14FN7O/c1-10-6-13(24(2)23-10)11-7-12(16-19-9-20-25(16)8-11)17(26)22-15-5-3-4-14(18)21-15/h3-9H,1-2H3,(H,21,22,26)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211550
PNG
(US9550778, chem-us-00200)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccnc2F)n1
Show InChI InChI=1S/C16H11FN6OS/c1-9-7-25-16(21-9)22-15(24)12-5-10(6-23-14(12)19-8-20-23)11-3-2-4-18-13(11)17/h2-8H,1H3,(H,21,22,24)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212262
PNG
(US9550778, chem-us-00212)
Show SMILES CCc1ccncc1-c1cc(C(=O)Nc2nc(C)cs2)c2ncnn2c1
Show InChI InChI=1S/C18H16N6OS/c1-3-12-4-5-19-7-15(12)13-6-14(16-20-10-21-24(16)8-13)17(25)23-18-22-11(2)9-26-18/h4-10H,3H2,1-2H3,(H,22,23,25)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212254
PNG
(US9550778, chem-us-00210)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C2CC2)n1
Show InChI InChI=1S/C19H16N6OS/c1-11-9-27-19(23-11)24-18(26)15-6-13(8-25-17(15)21-10-22-25)16-7-20-5-4-14(16)12-2-3-12/h4-10,12H,2-3H2,1H3,(H,23,24,26)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212382
PNG
(US9550778, chem-us-00224)
Show SMILES Cc1cc([nH]n1)-c1cc(C(=O)Nc2ccccn2)c2nccn2c1
Show InChI InChI=1S/C17H14N6O/c1-11-8-14(22-21-11)12-9-13(16-19-6-7-23(16)10-12)17(24)20-15-4-2-3-5-18-15/h2-10H,1H3,(H,21,22)(H,18,20,24)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211449
PNG
(US9550778, chem-us-00184)
Show SMILES COc1ccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)nc1
Show InChI InChI=1S/C19H16N6O2/c1-12-5-6-20-9-16(12)13-7-15(18-22-11-23-25(18)10-13)19(26)24-17-4-3-14(27-2)8-21-17/h3-11H,1-2H3,(H,21,24,26)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212383
PNG
(US9550778, chem-us-00225)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ccnc23)-c2cc(C)n[nH]2)n1
Show InChI InChI=1S/C16H14N6OS/c1-9-5-13(21-20-9)11-6-12(14-17-3-4-22(14)7-11)15(23)19-16-18-10(2)8-24-16/h3-8H,1-2H3,(H,20,21)(H,18,19,23)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212407
PNG
(US9550778, chem-us-00230)
Show SMILES Cn1nccc1-c1cc(C(=O)Nc2ccc(F)cn2)c2nncn2c1
Show InChI InChI=1S/C16H12FN7O/c1-23-13(4-5-20-23)10-6-12(15-22-19-9-24(15)8-10)16(25)21-14-3-2-11(17)7-18-14/h2-9H,1H3,(H,18,21,25)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212250
PNG
(US9550778, chem-us-00206)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cncc(C)c2)n1
Show InChI InChI=1S/C17H14N6OS/c1-10-3-12(6-18-5-10)13-4-14(15-19-9-20-23(15)7-13)16(24)22-17-21-11(2)8-25-17/h3-9H,1-2H3,(H,21,22,24)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM208023
PNG
(US9550778, chem-us-00180)
Show SMILES CCc1cccc(NC(=O)c2cc(cn3ncnc23)-c2cnccc2C)n1
Show InChI InChI=1S/C20H18N6O/c1-3-15-5-4-6-18(24-15)25-20(27)16-9-14(11-26-19(16)22-12-23-26)17-10-21-8-7-13(17)2/h4-12H,3H2,1-2H3,(H,24,25,27)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212386
PNG
(US9550778, chem-us-00228)
Show SMILES Cc1cc(-c2cc(C(=O)Nc3ccc(F)cn3)c3ncnn3c2)n(C)n1
Show InChI InChI=1S/C17H14FN7O/c1-10-5-14(24(2)23-10)11-6-13(16-20-9-21-25(16)8-11)17(26)22-15-4-3-12(18)7-19-15/h3-9H,1-2H3,(H,19,22,26)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211548
PNG
(US9550778, chem-us-00198)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cn(C)nc2C)n1
Show InChI InChI=1S/C16H15N7OS/c1-9-7-25-16(19-9)20-15(24)12-4-11(5-23-14(12)17-8-18-23)13-6-22(3)21-10(13)2/h4-8H,1-3H3,(H,19,20,24)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211544
PNG
(US9550778, chem-us-00194)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnc(F)c(C)c2)n1
Show InChI InChI=1S/C17H13FN6OS/c1-9-3-11(5-19-14(9)18)12-4-13(15-20-8-21-24(15)6-12)16(25)23-17-22-10(2)7-26-17/h3-8H,1-2H3,(H,22,23,25)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212380
PNG
(US9550778, chem-us-00222)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cnncc2C)n1
Show InChI InChI=1S/C16H13N7OS/c1-9-4-18-19-5-13(9)11-3-12(14-17-8-20-23(14)6-11)15(24)22-16-21-10(2)7-25-16/h3-8H,1-2H3,(H,21,22,24)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212263
PNG
(US9550778, chem-us-00213)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cc(F)cnc2C)n1
Show InChI InChI=1S/C17H13FN6OS/c1-9-7-26-17(22-9)23-16(25)14-3-11(6-24-15(14)20-8-21-24)13-4-12(18)5-19-10(13)2/h3-8H,1-2H3,(H,22,23,25)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212375
PNG
(US9550778, chem-us-00217)
Show SMILES CCn1nccc1-c1cc(C(=O)Nc2nc(C)cs2)c2ncnn2c1
Show InChI InChI=1S/C16H15N7OS/c1-3-22-13(4-5-18-22)11-6-12(14-17-9-19-23(14)7-11)15(24)21-16-20-10(2)8-25-16/h4-9H,3H2,1-2H3,(H,20,21,24)
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Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212385
PNG
(US9550778, chem-us-00227)
Show SMILES Cc1cc([nH]n1)-c1cc(C(=O)Nc2ccc(F)cn2)c2nccn2c1
Show InChI InChI=1S/C17H13FN6O/c1-10-6-14(23-22-10)11-7-13(16-19-4-5-24(16)9-11)17(25)21-15-3-2-12(18)8-20-15/h2-9H,1H3,(H,22,23)(H,20,21,25)
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n/an/a 3.93E+3n/an/an/an/a7.425



Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211457
PNG
(US9550778, chem-us-00192)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccc(C)c2)n1
Show InChI InChI=1S/C18H15N5OS/c1-11-4-3-5-13(6-11)14-7-15(16-19-10-20-23(16)8-14)17(24)22-18-21-12(2)9-25-18/h3-10H,1-2H3,(H,21,22,24)
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n/an/a 4.77E+3n/an/an/an/a7.425



Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211549
PNG
(US9550778, chem-us-00199)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccc(F)nc2)n1
Show InChI InChI=1S/C16H11FN6OS/c1-9-7-25-16(21-9)22-15(24)12-4-11(6-23-14(12)19-8-20-23)10-2-3-13(17)18-5-10/h2-8H,1H3,(H,21,22,24)
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n/an/a 4.93E+3n/an/an/an/a7.425



Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212384
PNG
(US9550778, chem-us-00226)
Show SMILES Cc1cc([nH]n1)-c1cc(C(=O)Nc2ccc(C)cn2)c2nccn2c1
Show InChI InChI=1S/C18H16N6O/c1-11-3-4-16(20-9-11)21-18(25)14-8-13(15-7-12(2)22-23-15)10-24-6-5-19-17(14)24/h3-10H,1-2H3,(H,22,23)(H,20,21,25)
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n/an/a 5.11E+3n/an/an/an/a7.425



Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM211545
PNG
(US9550778, chem-us-00195)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2cccc3n(C)ncc23)n1
Show InChI InChI=1S/C19H15N7OS/c1-11-9-28-19(23-11)24-18(27)14-6-12(8-26-17(14)20-10-22-26)13-4-3-5-16-15(13)7-21-25(16)2/h3-10H,1-2H3,(H,23,24,27)
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n/an/a 7.02E+3n/an/an/an/a7.425



Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212253
PNG
(US9550778, chem-us-00209)
Show SMILES COc1ccc(C)c(c1)-c1cc(C(=O)Nc2nc(C)cs2)c2ncnn2c1
Show InChI InChI=1S/C19H17N5O2S/c1-11-4-5-14(26-3)7-15(11)13-6-16(17-20-10-21-24(17)8-13)18(25)23-19-22-12(2)9-27-19/h4-10H,1-3H3,(H,22,23,25)
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Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212252
PNG
(US9550778, chem-us-00208)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccccc2C)n1
Show InChI InChI=1S/C18H15N5OS/c1-11-5-3-4-6-14(11)13-7-15(16-19-10-20-23(16)8-13)17(24)22-18-21-12(2)9-25-18/h3-10H,1-2H3,(H,21,22,24)
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n/an/a 7.94E+3n/an/an/an/a7.425



Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))		BDBM212378
PNG
(US9550778, chem-us-00220)
Show SMILES Cc1csc(NC(=O)c2cc(cn3ncnc23)-c2ccncc2)n1
Show InChI InChI=1S/C16H12N6OS/c1-10-8-24-16(20-10)21-15(23)13-6-12(11-2-4-17-5-3-11)7-22-14(13)18-9-19-22/h2-9H,1H3,(H,20,21,23)
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n/an/a 8.07E+3n/an/an/an/a7.425



Vanderbilt University

US Patent


Assay Description
The following examples of the in vitro effects of the disclosed compounds are prophetic. An example of an in vitro assay method for assessing the rec...

US Patent US9550778 (2017)


BindingDB Entry DOI: 10.7270/Q24M96J4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%