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Patent code US8598345

Compile Data Set for Download or QSAR
Found 91 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))
BDBM107221
PNG
(US8598345, Table 1-7)
Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Show InChI InChI=1S/C17H14N4O2/c1-12-4-2-6-16(20-12)21-17(22)15-10-13(7-9-19-15)23-14-5-3-8-18-11-14/h2-11H,1H3,(H,20,21,22)
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n/an/a 38n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107262
PNG
(US8598345, 204 | US8598345, Table 1-48/2-8)
Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C16H13N5O2/c1-11-3-2-4-15(20-11)21-16(22)14-7-12(5-6-19-14)23-13-8-17-10-18-9-13/h2-10H,1H3,(H,20,21,22)
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n/an/a 47n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107262
PNG
(US8598345, 204 | US8598345, Table 1-48/2-8)
Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C16H13N5O2/c1-11-3-2-4-15(20-11)21-16(22)14-7-12(5-6-19-14)23-13-8-17-10-18-9-13/h2-10H,1H3,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107244
PNG
(US8598345, 200 | US8598345, Table 1-30/2-4)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C14H11N5O2S/c1-9-7-22-14(18-9)19-13(20)12-4-10(2-3-17-12)21-11-5-15-8-16-6-11/h2-8H,1H3,(H,18,19,20)
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n/an/a 65n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107231
PNG
(US8598345, Table 1-17)
Show SMILES O=C(Nc1ccccn1)c1cc(Oc2cccnc2)ccn1
Show InChI InChI=1S/C16H12N4O2/c21-16(20-15-5-1-2-8-19-15)14-10-12(6-9-18-14)22-13-4-3-7-17-11-13/h1-11H,(H,19,20,21)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107261
PNG
(US8598345, 203 | US8598345, Table 1-48/2-7)
Show SMILES O=C(Nc1ccccn1)c1cc(Oc2cncnc2)ccn1
Show InChI InChI=1S/C15H11N5O2/c21-15(20-14-3-1-2-5-19-14)13-7-11(4-6-18-13)22-12-8-16-10-17-9-12/h1-10H,(H,19,20,21)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107224
PNG
(US8598345, 198 | US8598345, Table 1-10/2-2)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Show InChI InChI=1S/C15H12N4O2S/c1-10-9-22-15(18-10)19-14(20)13-7-11(4-6-17-13)21-12-3-2-5-16-8-12/h2-9H,1H3,(H,18,19,20)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107224
PNG
(US8598345, 198 | US8598345, Table 1-10/2-2)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Show InChI InChI=1S/C15H12N4O2S/c1-10-9-22-15(18-10)19-14(20)13-7-11(4-6-17-13)21-12-3-2-5-16-8-12/h2-9H,1H3,(H,18,19,20)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107261
PNG
(US8598345, 203 | US8598345, Table 1-48/2-7)
Show SMILES O=C(Nc1ccccn1)c1cc(Oc2cncnc2)ccn1
Show InChI InChI=1S/C15H11N5O2/c21-15(20-14-3-1-2-5-19-14)13-7-11(4-6-18-13)22-12-8-16-10-17-9-12/h1-10H,(H,19,20,21)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107273
PNG
(US8598345, 207 | US8598345, Table 1-59/2-11)
Show SMILES Fc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C15H10FN5O2/c16-13-2-1-3-14(20-13)21-15(22)12-6-10(4-5-19-12)23-11-7-17-9-18-8-11/h1-9H,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107266
PNG
(US8598345, 208 | US8598345, Table 1-52/2-12)
Show SMILES Clc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C15H10ClN5O2/c16-13-2-1-3-14(20-13)21-15(22)12-6-10(4-5-19-12)23-11-7-17-9-18-8-11/h1-9H,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107273
PNG
(US8598345, 207 | US8598345, Table 1-59/2-11)
Show SMILES Fc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C15H10FN5O2/c16-13-2-1-3-14(20-13)21-15(22)12-6-10(4-5-19-12)23-11-7-17-9-18-8-11/h1-9H,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107222
PNG
(US8598345, Table 1-8)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)nc1
Show InChI InChI=1S/C16H11FN4O2/c17-11-3-4-15(20-9-11)21-16(22)14-8-12(5-7-19-14)23-13-2-1-6-18-10-13/h1-10H,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107244
PNG
(US8598345, 200 | US8598345, Table 1-30/2-4)
Show SMILES Cc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C14H11N5O2S/c1-9-7-22-14(18-9)19-13(20)12-4-10(2-3-17-12)21-11-5-15-8-16-6-11/h2-8H,1H3,(H,18,19,20)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107271
PNG
(US8598345, 206 | US8598345, Table 1-57/2-10)
Show SMILES Fc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
Show InChI InChI=1S/C15H10FN5O2/c16-10-1-3-20-14(5-10)21-15(22)13-6-11(2-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107271
PNG
(US8598345, 206 | US8598345, Table 1-57/2-10)
Show SMILES Fc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
Show InChI InChI=1S/C15H10FN5O2/c16-10-1-3-20-14(5-10)21-15(22)13-6-11(2-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107232
PNG
(US8598345, Table 1-18)
Show SMILES CCc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Show InChI InChI=1S/C18H16N4O2/c1-2-13-5-3-7-17(21-13)22-18(23)16-11-14(8-10-20-16)24-15-6-4-9-19-12-15/h3-12H,2H2,1H3,(H,21,22,23)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107266
PNG
(US8598345, 208 | US8598345, Table 1-52/2-12)
Show SMILES Clc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C15H10ClN5O2/c16-13-2-1-3-14(20-13)21-15(22)12-6-10(4-5-19-12)23-11-7-17-9-18-8-11/h1-9H,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107216
PNG
(US8598345, 197 | US8598345, Table 1-2/2-1)
Show SMILES Clc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
Show InChI InChI=1S/C17H12ClN3O2/c18-12-3-1-4-13(9-12)21-17(22)16-10-14(6-8-20-16)23-15-5-2-7-19-11-15/h1-11H,(H,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107263
PNG
(US8598345, 205 | US8598345, Table 1-49/2-9)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncnc3)ccn2)nc1
Show InChI InChI=1S/C15H10FN5O2/c16-10-1-2-14(20-6-10)21-15(22)13-5-11(3-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107236
PNG
(US8598345, Table 1-22)
Show SMILES COc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Show InChI InChI=1S/C17H14N4O3/c1-23-16-6-2-5-15(20-16)21-17(22)14-10-12(7-9-19-14)24-13-4-3-8-18-11-13/h2-11H,1H3,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107263
PNG
(US8598345, 205 | US8598345, Table 1-49/2-9)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncnc3)ccn2)nc1
Show InChI InChI=1S/C15H10FN5O2/c16-10-1-2-14(20-6-10)21-15(22)13-5-11(3-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)
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n/an/a 389n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107216
PNG
(US8598345, 197 | US8598345, Table 1-2/2-1)
Show SMILES Clc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
Show InChI InChI=1S/C17H12ClN3O2/c18-12-3-1-4-13(9-12)21-17(22)16-10-14(6-8-20-16)23-15-5-2-7-19-11-15/h1-11H,(H,21,22)
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n/an/a 390n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107223
PNG
(US8598345, Table 1-9)
Show SMILES Cc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
Show InChI InChI=1S/C18H15N3O2/c1-13-4-2-5-14(10-13)21-18(22)17-11-15(7-9-20-17)23-16-6-3-8-19-12-16/h2-12H,1H3,(H,21,22)
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n/an/a 510n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107291
PNG
(US8598345, Table 1-77)
Show SMILES Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F
Show InChI InChI=1S/C16H12FN5O2/c1-10-13(17)2-3-15(21-10)22-16(23)14-6-11(4-5-20-14)24-12-7-18-9-19-8-12/h2-9H,1H3,(H,21,22,23)
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n/an/a 746n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107274
PNG
(US8598345, 210 | US8598345, Table 1-60/2-14)
Show SMILES Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1F
Show InChI InChI=1S/C14H10FN5O2S/c1-8-12(15)23-14(19-8)20-13(21)11-4-9(2-3-18-11)22-10-5-16-7-17-6-10/h2-7H,1H3,(H,19,20,21)
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n/an/a 943n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107274
PNG
(US8598345, 210 | US8598345, Table 1-60/2-14)
Show SMILES Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1F
Show InChI InChI=1S/C14H10FN5O2S/c1-8-12(15)23-14(19-8)20-13(21)11-4-9(2-3-18-11)22-10-5-16-7-17-6-10/h2-7H,1H3,(H,19,20,21)
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n/an/a 981n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107230
PNG
(US8598345, Table 1-16)
Show SMILES Clc1cc(NC(=O)c2cc(Oc3cccnc3)ccn2)ccn1
Show InChI InChI=1S/C16H11ClN4O2/c17-15-8-11(3-6-20-15)21-16(22)14-9-12(4-7-19-14)23-13-2-1-5-18-10-13/h1-10H,(H,20,21,22)
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n/an/a 1.03E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107245
PNG
(US8598345, Table 1-31)
Show SMILES FC(F)(F)c1csc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Show InChI InChI=1S/C15H9F3N4O2S/c16-15(17,18)12-8-25-14(21-12)22-13(23)11-6-9(3-5-20-11)24-10-2-1-4-19-7-10/h1-8H,(H,21,22,23)
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n/an/a 1.11E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107279
PNG
(US8598345, Table 1-65)
Show SMILES Cc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
Show InChI InChI=1S/C16H13N5O2/c1-11-2-4-20-15(6-11)21-16(22)14-7-12(3-5-19-14)23-13-8-17-10-18-9-13/h2-10H,1H3,(H,20,21,22)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107234
PNG
(US8598345, Table 1-20)
Show SMILES Cc1cc(NC(=O)c2cc(Oc3cccnc3)ccn2)ccn1
Show InChI InChI=1S/C17H14N4O2/c1-12-9-13(4-7-19-12)21-17(22)16-10-14(5-8-20-16)23-15-3-2-6-18-11-15/h2-11H,1H3,(H,19,21,22)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107249
PNG
(US8598345, 201 | US8598345, Table 1-35/2-5)
Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C15H14N6OS/c1-10-8-23-15(19-10)20-14(22)13-5-11(3-4-18-13)21(2)12-6-16-9-17-7-12/h3-9H,1-2H3,(H,19,20,22)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107229
PNG
(US8598345, Table 1-15)
Show SMILES Clc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Show InChI InChI=1S/C16H11ClN4O2/c17-14-4-1-5-15(20-14)21-16(22)13-9-11(6-8-19-13)23-12-3-2-7-18-10-12/h1-10H,(H,20,21,22)
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n/an/a 1.92E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107249
PNG
(US8598345, 201 | US8598345, Table 1-35/2-5)
Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C15H14N6OS/c1-10-8-23-15(19-10)20-14(22)13-5-11(3-4-18-13)21(2)12-6-16-9-17-7-12/h3-9H,1-2H3,(H,19,20,22)
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n/an/a 1.93E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107289
PNG
(US8598345, Table 1-75)
Show SMILES COc1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C16H13N5O3/c1-23-15-4-2-3-14(20-15)21-16(22)13-7-11(5-6-19-13)24-12-8-17-10-18-9-12/h2-10H,1H3,(H,20,21,22)
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n/an/a 2.14E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107258
PNG
(US8598345, 202 | US8598345, Table 1-44/2-6)
Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C17H16N6O/c1-12-4-3-5-16(21-12)22-17(24)15-8-13(6-7-20-15)23(2)14-9-18-11-19-10-14/h3-11H,1-2H3,(H,21,22,24)
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n/an/a 2.15E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107242
PNG
(US8598345, 199 | US8598345, Table 1-28/2-3)
Show SMILES Cc1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1
Show InChI InChI=1S/C15H12N4O2S/c1-10-9-22-15(18-10)19-14(20)11-5-13(8-17-6-11)21-12-3-2-4-16-7-12/h2-9H,1H3,(H,18,19,20)
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n/an/a 2.16E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107270
PNG
(US8598345, Table 1-56)
Show SMILES FCc1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C14H10FN5O2S/c15-4-9-7-23-14(19-9)20-13(21)12-3-10(1-2-18-12)22-11-5-16-8-17-6-11/h1-3,5-8H,4H2,(H,19,20,21)
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n/an/a 2.32E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107267
PNG
(US8598345, Table 1-53)
Show SMILES Clc1ccc(NC(=O)c2cc(Oc3cncnc3)ccn2)nc1
Show InChI InChI=1S/C15H10ClN5O2/c16-10-1-2-14(20-6-10)21-15(22)13-5-11(3-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)
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n/an/a 2.47E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107246
PNG
(US8598345, Table 1-32)
Show SMILES O=C(Nc1nccs1)c1cc(Oc2cncnc2)ccn1
Show InChI InChI=1S/C13H9N5O2S/c19-12(18-13-17-3-4-21-13)11-5-9(1-2-16-11)20-10-6-14-8-15-7-10/h1-8H,(H,17,18,19)
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n/an/a 2.61E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107243
PNG
(US8598345, Table 1-29)
Show SMILES O=C(Nc1nc(cs1)C#N)c1cc(Oc2cccnc2)ccn1
Show InChI InChI=1S/C15H9N5O2S/c16-7-10-9-23-15(19-10)20-14(21)13-6-11(3-5-18-13)22-12-2-1-4-17-8-12/h1-6,8-9H,(H,19,20,21)
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n/an/a 2.64E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107248
PNG
(US8598345, Table 1-34)
Show SMILES CN(c1cccnc1)c1ccnc(c1)C(=O)Nc1nc(C)cs1
Show InChI InChI=1S/C16H15N5OS/c1-11-10-23-16(19-11)20-15(22)14-8-12(5-7-18-14)21(2)13-4-3-6-17-9-13/h3-10H,1-2H3,(H,19,20,22)
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n/an/a 2.69E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107220
PNG
(US8598345, Table 1-6)
Show SMILES Fc1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
Show InChI InChI=1S/C17H12FN3O2/c18-12-3-1-4-13(9-12)21-17(22)16-10-14(6-8-20-16)23-15-5-2-7-19-11-15/h1-11H,(H,21,22)
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n/an/a 2.89E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107215
PNG
(US8598345, Table 1-1)
Show SMILES O=C(Nc1ccccc1)c1cc(Oc2cccnc2)ccn1
Show InChI InChI=1S/C17H13N3O2/c21-17(20-13-5-2-1-3-6-13)16-11-14(8-10-19-16)22-15-7-4-9-18-12-15/h1-12H,(H,20,21)
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n/an/a 3.46E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107228
PNG
(US8598345, Table 1-14)
Show SMILES Cc1cnc(NC(=O)c2cc(Oc3cccnc3)ccn2)s1
Show InChI InChI=1S/C15H12N4O2S/c1-10-8-18-15(22-10)19-14(20)13-7-11(4-6-17-13)21-12-3-2-5-16-9-12/h2-9H,1H3,(H,18,19,20)
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n/an/a 3.58E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107219
PNG
(US8598345, Table 1-5)
Show SMILES Cn1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Show InChI InChI=1S/C15H13N5O2/c1-20-8-5-14(19-20)18-15(21)13-9-11(4-7-17-13)22-12-3-2-6-16-10-12/h2-10H,1H3,(H,18,19,21)
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n/an/a 4.05E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107237
PNG
(US8598345, Table 1-23)
Show SMILES O=C(Nc1ccncn1)c1cc(Oc2cccnc2)ccn1
Show InChI InChI=1S/C15H11N5O2/c21-15(20-14-4-6-17-10-19-14)13-8-11(3-7-18-13)22-12-2-1-5-16-9-12/h1-10H,(H,17,19,20,21)
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n/an/a 4.69E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107217
PNG
(US8598345, Table 1-3)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
Show InChI InChI=1S/C18H12F3N3O2/c19-18(20,21)12-3-1-4-13(9-12)24-17(25)16-10-14(6-8-23-16)26-15-5-2-7-22-11-15/h1-11H,(H,24,25)
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n/an/a 4.86E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107258
PNG
(US8598345, 202 | US8598345, Table 1-44/2-6)
Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1cccc(C)n1
Show InChI InChI=1S/C17H16N6O/c1-12-4-3-5-16(21-12)22-17(24)15-8-13(6-7-20-15)23(2)14-9-18-11-19-10-14/h3-11H,1-2H3,(H,21,22,24)
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n/an/a 5.31E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107247
PNG
(US8598345, Table 1-33)
Show SMILES CN(c1cccnc1)c1ccnc(c1)C(=O)Nc1nccs1
Show InChI InChI=1S/C15H13N5OS/c1-20(12-3-2-5-16-10-12)11-4-6-17-13(9-11)14(21)19-15-18-7-8-22-15/h2-10H,1H3,(H,18,19,21)
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n/an/a 5.59E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107242
PNG
(US8598345, 199 | US8598345, Table 1-28/2-3)
Show SMILES Cc1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1
Show InChI InChI=1S/C15H12N4O2S/c1-10-9-22-15(18-10)19-14(20)11-5-13(8-17-6-11)21-12-3-2-4-16-7-12/h2-9H,1H3,(H,18,19,20)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107280
PNG
(US8598345, Table 1-66)
Show SMILES FC(F)(F)c1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C14H8F3N5O2S/c15-14(16,17)11-6-25-13(21-11)22-12(23)10-3-8(1-2-20-10)24-9-4-18-7-19-5-9/h1-7H,(H,21,22,23)
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n/an/a 6.77E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107283
PNG
(US8598345, Table 1-69)
Show SMILES FC(F)c1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C14H9F2N5O2S/c15-12(16)11-6-24-14(20-11)21-13(22)10-3-8(1-2-19-10)23-9-4-17-7-18-5-9/h1-7,12H,(H,20,21,22)
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n/an/a 7.05E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107251
PNG
(US8598345, Table 1-37)
Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C16H13FN6O/c1-23(13-8-18-10-19-9-13)12-4-5-20-14(6-12)16(24)22-15-3-2-11(17)7-21-15/h2-10H,1H3,(H,21,22,24)
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n/an/a 8.35E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107227
PNG
(US8598345, Table 1-13)
Show SMILES O=C(Nc1nccs1)c1cc(Oc2cccnc2)ccn1
Show InChI InChI=1S/C14H10N4O2S/c19-13(18-14-17-6-7-21-14)12-8-10(3-5-16-12)20-11-2-1-4-15-9-11/h1-9H,(H,17,18,19)
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n/an/a 8.99E+3n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107257
PNG
(US8598345, Table 1-43)
Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1ccccn1
Show InChI InChI=1S/C16H14N6O/c1-22(13-9-17-11-18-10-13)12-5-7-19-14(8-12)16(23)21-15-4-2-3-6-20-15/h2-11H,1H3,(H,20,21,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107278
PNG
(US8598345, Table 1-64)
Show SMILES COc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
Show InChI InChI=1S/C16H13N5O3/c1-23-11-2-5-20-15(7-11)21-16(22)14-6-12(3-4-19-14)24-13-8-17-10-18-9-13/h2-10H,1H3,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107288
PNG
(US8598345, Table 1-74)
Show SMILES FC(F)c1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F
Show InChI InChI=1S/C16H10F3N5O2/c17-11-1-2-13(23-14(11)15(18)19)24-16(25)12-5-9(3-4-22-12)26-10-6-20-8-21-7-10/h1-8,15H,(H,23,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107241
PNG
(US8598345, Table 1-27)
Show SMILES O=C(Nc1ccccn1)c1cncc(Oc2cccnc2)c1
Show InChI InChI=1S/C16H12N4O2/c21-16(20-15-5-1-2-7-19-15)12-8-14(11-18-9-12)22-13-4-3-6-17-10-13/h1-11H,(H,19,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107256
PNG
(US8598345, Table 1-42)
Show SMILES O=C(NC1CCOCC1)c1cc(Oc2cccnc2)ccn1
Show InChI InChI=1S/C16H17N3O3/c20-16(19-12-4-8-21-9-5-12)15-10-13(3-7-18-15)22-14-2-1-6-17-11-14/h1-3,6-7,10-12H,4-5,8-9H2,(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107272
PNG
(US8598345, Table 1-58)
Show SMILES Cc1cc(NC(=O)c2cc(Oc3cncnc3)ccn2)ncc1F
Show InChI InChI=1S/C16H12FN5O2/c1-10-4-15(21-8-13(10)17)22-16(23)14-5-11(2-3-20-14)24-12-6-18-9-19-7-12/h2-9H,1H3,(H,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107240
PNG
(US8598345, Table 1-26)
Show SMILES FC(F)(F)c1csc(NC(=O)c2cncc(Oc3cccnc3)c2)n1
Show InChI InChI=1S/C15H9F3N4O2S/c16-15(17,18)12-8-25-14(21-12)22-13(23)9-4-11(7-20-5-9)24-10-2-1-3-19-6-10/h1-8H,(H,21,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107259
PNG
(US8598345, Table 1-45)
Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1cccc(Cl)n1
Show InChI InChI=1S/C16H13ClN6O/c1-23(12-8-18-10-19-9-12)11-5-6-20-13(7-11)16(24)22-15-4-2-3-14(17)21-15/h2-10H,1H3,(H,21,22,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107255
PNG
(US8598345, Table 1-41)
Show SMILES O=C(NC1CCCCCC1)c1cc(Oc2cccnc2)ccn1
Show InChI InChI=1S/C18H21N3O2/c22-18(21-14-6-3-1-2-4-7-14)17-12-15(9-11-20-17)23-16-8-5-10-19-13-16/h5,8-14H,1-4,6-7H2,(H,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107287
PNG
(US8598345, Table 1-73)
Show SMILES FCc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F
Show InChI InChI=1S/C16H11F2N5O2/c17-6-14-12(18)1-2-15(22-14)23-16(24)13-5-10(3-4-21-13)25-11-7-19-9-20-8-11/h1-5,7-9H,6H2,(H,22,23,24)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107276
PNG
(US8598345, Table 1-62)
Show SMILES Clc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
Show InChI InChI=1S/C15H10ClN5O2/c16-10-1-3-20-14(5-10)21-15(22)13-6-11(2-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107290
PNG
(US8598345, Table 1-76)
Show SMILES FC(F)(F)c1cccc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C16H10F3N5O2/c17-16(18,19)13-2-1-3-14(23-13)24-15(25)12-6-10(4-5-22-12)26-11-7-20-9-21-8-11/h1-9H,(H,23,24,25)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107286
PNG
(US8598345, Table 1-72)
Show SMILES Brc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
Show InChI InChI=1S/C15H10BrN5O2/c16-10-1-3-20-14(5-10)21-15(22)13-6-11(2-4-19-13)23-12-7-17-9-18-8-12/h1-9H,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107239
PNG
(US8598345, Table 1-25)
Show SMILES Cc1nc(NC(=O)c2cncc(Oc3cccnc3)c2)sc1F
Show InChI InChI=1S/C15H11FN4O2S/c1-9-13(16)23-15(19-9)20-14(21)10-5-12(8-18-6-10)22-11-3-2-4-17-7-11/h2-8H,1H3,(H,19,20,21)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107250
PNG
(US8598345, Table 1-36)
Show SMILES CN(c1cncnc1)c1ccnc(c1)C(=O)Nc1ncccc1F
Show InChI InChI=1S/C16H13FN6O/c1-23(12-8-18-10-19-9-12)11-4-6-20-14(7-11)16(24)22-15-13(17)3-2-5-21-15/h2-10H,1H3,(H,21,22,24)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107235
PNG
(US8598345, Table 1-21)
Show SMILES Cn1cnc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Show InChI InChI=1S/C14H12N6O2/c1-20-9-17-14(19-20)18-13(21)12-7-10(4-6-16-12)22-11-3-2-5-15-8-11/h2-9H,1H3,(H,18,19,21)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM107268
PNG
(US8598345, 209 | US8598345, Table 1-54/2-13)
Show SMILES O=C(NC1CCCCCC1)c1cc(Oc2cncnc2)ccn1
Show InChI InChI=1S/C17H20N4O2/c22-17(21-13-5-3-1-2-4-6-13)16-9-14(7-8-20-16)23-15-10-18-12-19-11-15/h7-13H,1-6H2,(H,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107269
PNG
(US8598345, Table 1-55)
Show SMILES O=C(NC1CCOCC1)c1cc(Oc2cncnc2)ccn1
Show InChI InChI=1S/C15H16N4O3/c20-15(19-11-2-5-21-6-3-11)14-7-12(1-4-18-14)22-13-8-16-10-17-9-13/h1,4,7-11H,2-3,5-6H2,(H,19,20)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107275
PNG
(US8598345, Table 1-61)
Show SMILES CCc1ccnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c1
Show InChI InChI=1S/C17H15N5O2/c1-2-12-3-5-21-16(7-12)22-17(23)15-8-13(4-6-20-15)24-14-9-18-11-19-10-14/h3-11H,2H2,1H3,(H,21,22,23)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107268
PNG
(US8598345, 209 | US8598345, Table 1-54/2-13)
Show SMILES O=C(NC1CCCCCC1)c1cc(Oc2cncnc2)ccn1
Show InChI InChI=1S/C17H20N4O2/c22-17(21-13-5-3-1-2-4-6-13)16-9-14(7-8-20-16)23-15-10-18-12-19-11-15/h7-13H,1-6H2,(H,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107265
PNG
(US8598345, Table 1-51)
Show SMILES Fc1cnc(NC(=O)c2cc(Oc3cncnc3)ccn2)c(F)c1
Show InChI InChI=1S/C15H9F2N5O2/c16-9-3-12(17)14(21-5-9)22-15(23)13-4-10(1-2-20-13)24-11-6-18-8-19-7-11/h1-8H,(H,21,22,23)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107282
PNG
(US8598345, Table 1-68)
Show SMILES O=C(Nc1nc2ccccc2s1)c1cc(Oc2cncnc2)ccn1
Show InChI InChI=1S/C17H11N5O2S/c23-16(22-17-21-13-3-1-2-4-15(13)25-17)14-7-11(5-6-20-14)24-12-8-18-10-19-9-12/h1-10H,(H,21,22,23)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107285
PNG
(US8598345, Table 1-71)
Show SMILES Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1Br
Show InChI InChI=1S/C14H10BrN5O2S/c1-8-12(15)23-14(19-8)20-13(21)11-4-9(2-3-18-11)22-10-5-16-7-17-6-10/h2-7H,1H3,(H,19,20,21)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107226
PNG
(US8598345, Table 1-12)
Show SMILES Clc1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)cc1Cl
Show InChI InChI=1S/C17H11Cl2N3O2/c18-14-4-3-11(8-15(14)19)22-17(23)16-9-12(5-7-21-16)24-13-2-1-6-20-10-13/h1-10H,(H,22,23)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107254
PNG
(US8598345, Table 1-40)
Show SMILES O=C(NC1CCCCC1)c1cc(Oc2cccnc2)ccn1
Show InChI InChI=1S/C17H19N3O2/c21-17(20-13-5-2-1-3-6-13)16-11-14(8-10-19-16)22-15-7-4-9-18-12-15/h4,7-13H,1-3,5-6H2,(H,20,21)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107260
PNG
(US8598345, Table 1-46)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2cccnc2)ccn1 |r,wU:4.7,wD:1.0,(5.33,-5,;4,-4.23,;4,-2.69,;2.67,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;,-1.93,;-1.33,-2.69,;-1.33,-4.23,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-2.67,4.23,;-1.33,5,;,4.23,;,2.69,;-1.33,1.93,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,)|
Show InChI InChI=1S/C17H19N3O3/c21-13-5-3-12(4-6-13)20-17(22)16-10-14(7-9-19-16)23-15-2-1-8-18-11-15/h1-2,7-13,21H,3-6H2,(H,20,22)/t12-,13-
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107281
PNG
(US8598345, Table 1-67)
Show SMILES Cc1nc(NC(=O)c2cc(Oc3cncnc3)ccn2)sc1C(C)(C)C
Show InChI InChI=1S/C18H19N5O2S/c1-11-15(18(2,3)4)26-17(22-11)23-16(24)14-7-12(5-6-21-14)25-13-8-19-10-20-9-13/h5-10H,1-4H3,(H,22,23,24)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107277
PNG
(US8598345, Table 1-63)
Show SMILES Cc1cncc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C15H12N6O2/c1-10-5-16-8-14(20-10)21-15(22)13-4-11(2-3-19-13)23-12-6-17-9-18-7-12/h2-9H,1H3,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107225
PNG
(US8598345, Table 1-11)
Show SMILES Clc1cc(Cl)cc(NC(=O)c2cc(Oc3cccnc3)ccn2)c1
Show InChI InChI=1S/C17H11Cl2N3O2/c18-11-6-12(19)8-13(7-11)22-17(23)16-9-14(3-5-21-16)24-15-2-1-4-20-10-15/h1-10H,(H,22,23)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107238
PNG
(US8598345, Table 1-24)
Show SMILES Cc1nsc(NC(=O)c2cc(Oc3cccnc3)ccn2)n1
Show InChI InChI=1S/C14H11N5O2S/c1-9-17-14(22-19-9)18-13(20)12-7-10(4-6-16-12)21-11-3-2-5-15-8-11/h2-8H,1H3,(H,17,18,19,20)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107252
PNG
(US8598345, Table 1-38)
Show SMILES O=C(NC1CCC1)c1cc(Oc2cccnc2)ccn1
Show InChI InChI=1S/C15H15N3O2/c19-15(18-11-3-1-4-11)14-9-12(6-8-17-14)20-13-5-2-7-16-10-13/h2,5-11H,1,3-4H2,(H,18,19)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107253
PNG
(US8598345, Table 1-39)
Show SMILES O=C(NC1CCCC1)c1cc(Oc2cccnc2)ccn1
Show InChI InChI=1S/C16H17N3O2/c20-16(19-12-4-1-2-5-12)15-10-13(7-9-18-15)21-14-6-3-8-17-11-14/h3,6-12H,1-2,4-5H2,(H,19,20)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107284
PNG
(US8598345, Table 1-70)
Show SMILES NC(=O)c1csc(NC(=O)c2cc(Oc3cncnc3)ccn2)n1
Show InChI InChI=1S/C14H10N6O3S/c15-12(21)11-6-24-14(19-11)20-13(22)10-3-8(1-2-18-10)23-9-4-16-7-17-5-9/h1-7H,(H2,15,21)(H,19,20,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107218
PNG
(US8598345, Table 1-4)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cccnc3)ccn2)cc1F
Show InChI InChI=1S/C17H11F2N3O2/c18-14-4-3-11(8-15(14)19)22-17(23)16-9-12(5-7-21-16)24-13-2-1-6-20-10-13/h1-10H,(H,22,23)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107233
PNG
(US8598345, Table 1-17)
Show SMILES Cc1nc(NC(=O)c2cc(Oc3cccnc3)ccn2)nn1C
Show InChI InChI=1S/C15H14N6O2/c1-10-18-15(20-21(10)2)19-14(22)13-8-11(5-7-17-13)23-12-4-3-6-16-9-12/h3-9H,1-2H3,(H,19,20,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM107264
PNG
(US8598345, Table 1-50)
Show SMILES Fc1cccnc1NC(=O)c1cc(Oc2cncnc2)ccn1
Show InChI InChI=1S/C15H10FN5O2/c16-12-2-1-4-20-14(12)21-15(22)13-6-10(3-5-19-13)23-11-7-17-9-18-8-11/h1-9H,(H,20,21,22)
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Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.


US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%