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Compile Data Set for Download or QSAR

Found 358 hits Enz. Inhib. hit(s) with all data for entry = 783   
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 3


(Homo sapiens (Human))
BDBM290533
PNG
(US10099993, Compound 114 | US10099993, Compound 12...)
Show SMILES Cc1c(C)c(ccc1OCc1cccc(COc2ccc(\C=C\C(O)=O)c(O)c2)c1)C(=O)CC1CCCC1
Show InChI InChI=1S/C32H34O6/c1-21-22(2)31(14-13-28(21)30(34)17-23-6-3-4-7-23)38-20-25-9-5-8-24(16-25)19-37-27-12-10-26(29(33)18-27)11-15-32(35)36/h5,8-16,18,23,33H,3-4,6-7,17,19-20H2,1-2H3,(H,35,36)/b15-11+
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n/an/an/an/a>3.00E+4n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290541
PNG
(US10099993, Compound 122)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(COc2ccc(\C=C\C(O)=O)c(O)c2)c1)C(=O)CC1CCCC1
Show InChI InChI=1S/C31H32O7/c1-20-29(13-12-26(31(20)36)28(33)16-21-5-2-3-6-21)38-19-23-8-4-7-22(15-23)18-37-25-11-9-24(27(32)17-25)10-14-30(34)35/h4,7-15,17,21,32,36H,2-3,5-6,16,18-19H2,1H3,(H,34,35)/b14-10+
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n/an/an/an/a>3.00E+4n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290542
PNG
(US10099993, Compound 123)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C(O)=O)c2)c(C)c1C
Show InChI InChI=1S/C28H30O5/c1-18(2)14-26(29)25-12-13-27(20(4)19(25)3)33-17-22-7-5-6-21(15-22)16-32-24-10-8-23(9-11-24)28(30)31/h5-13,15,18H,14,16-17H2,1-4H3,(H,30,31)
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n/an/an/an/a>3.00E+4n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290542
PNG
(US10099993, Compound 123)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C(O)=O)c2)c(C)c1C
Show InChI InChI=1S/C28H30O5/c1-18(2)14-26(29)25-12-13-27(20(4)19(25)3)33-17-22-7-5-6-21(15-22)16-32-24-10-8-23(9-11-24)28(30)31/h5-13,15,18H,14,16-17H2,1-4H3,(H,30,31)
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n/an/an/an/a>3.00E+4n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290543
PNG
(US10099993, Compound 124)
Show SMILES Cc1c(C)c(ccc1OCc1cccc(COc2ccc(cc2)C(O)=O)c1)C(=O)CC1CCCC1
Show InChI InChI=1S/C30H32O5/c1-20-21(2)29(15-14-27(20)28(31)17-22-6-3-4-7-22)35-19-24-9-5-8-23(16-24)18-34-26-12-10-25(11-13-26)30(32)33/h5,8-16,22H,3-4,6-7,17-19H2,1-2H3,(H,32,33)
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n/an/an/an/a>3.00E+4n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290544
PNG
(US10099993, Compound 125)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C(O)=O)c2)c(C)c1O
Show InChI InChI=1S/C27H28O6/c1-17(2)13-24(28)23-11-12-25(18(3)26(23)29)33-16-20-6-4-5-19(14-20)15-32-22-9-7-21(8-10-22)27(30)31/h4-12,14,17,29H,13,15-16H2,1-3H3,(H,30,31)
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n/an/an/an/a 238n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290544
PNG
(US10099993, Compound 125)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C(O)=O)c2)c(C)c1O
Show InChI InChI=1S/C27H28O6/c1-17(2)13-24(28)23-11-12-25(18(3)26(23)29)33-16-20-6-4-5-19(14-20)15-32-22-9-7-21(8-10-22)27(30)31/h4-12,14,17,29H,13,15-16H2,1-3H3,(H,30,31)
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n/an/an/an/a>3.00E+4n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290545
PNG
(US10099993, Compound 126)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(COc2ccc(cc2)C(O)=O)c1)C(=O)CC1CCCC1
Show InChI InChI=1S/C29H30O6/c1-19-27(14-13-25(28(19)31)26(30)16-20-5-2-3-6-20)35-18-22-8-4-7-21(15-22)17-34-24-11-9-23(10-12-24)29(32)33/h4,7-15,20,31H,2-3,5-6,16-18H2,1H3,(H,32,33)
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n/an/an/an/a>1.00E+4n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290545
PNG
(US10099993, Compound 126)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(COc2ccc(cc2)C(O)=O)c1)C(=O)CC1CCCC1
Show InChI InChI=1S/C29H30O6/c1-19-27(14-13-25(28(19)31)26(30)16-20-5-2-3-6-20)35-18-22-8-4-7-21(15-22)17-34-24-11-9-23(10-12-24)29(32)33/h4,7-15,20,31H,2-3,5-6,16-18H2,1H3,(H,32,33)
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n/an/an/an/a>3.00E+4n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290546
PNG
(US10099993, Compound 127)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H28O5/c1-17-24(12-11-22(25(17)29)23(28)15-27(2,3)4)32-16-18-7-5-8-19(13-18)20-9-6-10-21(14-20)26(30)31/h5-14,29H,15-16H2,1-4H3,(H,30,31)
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n/an/an/an/a 343n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290547
PNG
(US10099993, Compound 128)
Show SMILES CC(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C23H20O5/c1-14-21(10-9-20(15(2)24)22(14)25)28-13-16-5-3-6-17(11-16)18-7-4-8-19(12-18)23(26)27/h3-12,25H,13H2,1-2H3,(H,26,27)
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n/an/an/an/a 35n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290547
PNG
(US10099993, Compound 128)
Show SMILES CC(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C23H20O5/c1-14-21(10-9-20(15(2)24)22(14)25)28-13-16-5-3-6-17(11-16)18-7-4-8-19(12-18)23(26)27/h3-12,25H,13H2,1-2H3,(H,26,27)
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n/an/an/an/a 1.29E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290548
PNG
(US10099993, Compound 129)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C(O)=O)C(=O)CC1CCCC1
Show InChI InChI=1S/C28H28O5/c1-18-26(13-12-24(27(18)30)25(29)15-19-6-2-3-7-19)33-17-20-8-4-9-21(14-20)22-10-5-11-23(16-22)28(31)32/h4-5,8-14,16,19,30H,2-3,6-7,15,17H2,1H3,(H,31,32)
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n/an/an/an/a 3.56E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290549
PNG
(US10099993, Compound 130)
Show SMILES CCCC(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C25H24O5/c1-3-6-22(26)21-11-12-23(16(2)24(21)27)30-15-17-7-4-8-18(13-17)19-9-5-10-20(14-19)25(28)29/h4-5,7-14,27H,3,6,15H2,1-2H3,(H,28,29)
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n/an/an/an/a 142n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290549
PNG
(US10099993, Compound 130)
Show SMILES CCCC(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C25H24O5/c1-3-6-22(26)21-11-12-23(16(2)24(21)27)30-15-17-7-4-8-18(13-17)19-9-5-10-20(14-19)25(28)29/h4-5,7-14,27H,3,6,15H2,1-2H3,(H,28,29)
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n/an/an/an/a 1.68E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290550
PNG
(US10099993, Compound 131)
Show SMILES CC(C)C(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C25H24O5/c1-15(2)23(26)21-10-11-22(16(3)24(21)27)30-14-17-6-4-7-18(12-17)19-8-5-9-20(13-19)25(28)29/h4-13,15,27H,14H2,1-3H3,(H,28,29)
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n/an/an/an/a 222n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290550
PNG
(US10099993, Compound 131)
Show SMILES CC(C)C(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C25H24O5/c1-15(2)23(26)21-10-11-22(16(3)24(21)27)30-14-17-6-4-7-18(12-17)19-8-5-9-20(13-19)25(28)29/h4-13,15,27H,14H2,1-3H3,(H,28,29)
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n/an/an/an/a 1.75E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290551
PNG
(US10099993, Compound 132)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(cc1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H28O5/c1-17-24(13-12-22(25(17)29)23(28)15-27(2,3)4)32-16-18-6-5-7-21(14-18)19-8-10-20(11-9-19)26(30)31/h5-14,29H,15-16H2,1-4H3,(H,30,31)
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n/an/an/an/a 561n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290551
PNG
(US10099993, Compound 132)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(cc1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H28O5/c1-17-24(13-12-22(25(17)29)23(28)15-27(2,3)4)32-16-18-6-5-7-21(14-18)19-8-10-20(11-9-19)26(30)31/h5-14,29H,15-16H2,1-4H3,(H,30,31)
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n/an/an/an/a 1.64E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290552
PNG
(US10099993, Compound 133)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(Cl)c(c1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27ClO5/c1-16-24(11-9-20(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)19-8-10-22(28)21(13-19)26(31)32/h5-13,30H,14-15H2,1-4H3,(H,31,32)
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n/an/an/an/a 433n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290552
PNG
(US10099993, Compound 133)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(Cl)c(c1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27ClO5/c1-16-24(11-9-20(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)19-8-10-22(28)21(13-19)26(31)32/h5-13,30H,14-15H2,1-4H3,(H,31,32)
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n/an/an/an/a 1.71E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290553
PNG
(US10099993, Compound 134)
Show SMILES COc1ccc(cc1-c1cccc(COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1)C(O)=O
Show InChI InChI=1S/C28H30O6/c1-17-24(12-10-21(26(17)30)23(29)15-28(2,3)4)34-16-18-7-6-8-19(13-18)22-14-20(27(31)32)9-11-25(22)33-5/h6-14,30H,15-16H2,1-5H3,(H,31,32)
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n/an/an/an/a 324n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290554
PNG
(US10099993, Compound 135)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27FO5/c1-16-24(11-9-20(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)19-8-10-22(28)21(13-19)26(31)32/h5-13,30H,14-15H2,1-4H3,(H,31,32)
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n/an/an/an/a 208n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290554
PNG
(US10099993, Compound 135)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(F)c(c1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27FO5/c1-16-24(11-9-20(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)19-8-10-22(28)21(13-19)26(31)32/h5-13,30H,14-15H2,1-4H3,(H,31,32)
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n/an/an/an/a 587n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290555
PNG
(US10099993, Compound 136)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1cc(F)cc(c1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27FO5/c1-16-24(9-8-22(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(10-17)19-11-20(26(31)32)13-21(28)12-19/h5-13,30H,14-15H2,1-4H3,(H,31,32)
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n/an/an/an/a 308n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290555
PNG
(US10099993, Compound 136)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1cc(F)cc(c1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27FO5/c1-16-24(9-8-22(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(10-17)19-11-20(26(31)32)13-21(28)12-19/h5-13,30H,14-15H2,1-4H3,(H,31,32)
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n/an/an/an/a 496n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290556
PNG
(US10099993, Compound 137)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C26H26O5/c1-16(2)12-23(27)22-10-11-24(17(3)25(22)28)31-15-18-6-4-7-19(13-18)20-8-5-9-21(14-20)26(29)30/h4-11,13-14,16,28H,12,15H2,1-3H3,(H,29,30)
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n/an/an/an/a 181n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290556
PNG
(US10099993, Compound 137)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(c2)-c2cccc(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C26H26O5/c1-16(2)12-23(27)22-10-11-24(17(3)25(22)28)31-15-18-6-4-7-19(13-18)20-8-5-9-21(14-20)26(29)30/h4-11,13-14,16,28H,12,15H2,1-3H3,(H,29,30)
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n/an/an/an/a 642n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290557
PNG
(US10099993, Compound 138)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccccc1C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H28O5/c1-17-24(13-12-22(25(17)29)23(28)15-27(2,3)4)32-16-18-8-7-9-19(14-18)20-10-5-6-11-21(20)26(30)31/h5-14,29H,15-16H2,1-4H3,(H,30,31)
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n/an/an/an/a 643n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290557
PNG
(US10099993, Compound 138)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccccc1C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H28O5/c1-17-24(13-12-22(25(17)29)23(28)15-27(2,3)4)32-16-18-8-7-9-19(14-18)20-10-5-6-11-21(20)26(30)31/h5-14,29H,15-16H2,1-4H3,(H,30,31)
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n/an/an/an/a>1.00E+4n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290558
PNG
(US10099993, Compound 139)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1cc(ccc1F)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27FO5/c1-16-24(11-9-20(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)21-13-19(26(31)32)8-10-22(21)28/h5-13,30H,14-15H2,1-4H3,(H,31,32)
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n/an/an/an/a 436n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290558
PNG
(US10099993, Compound 139)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1cc(ccc1F)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27FO5/c1-16-24(11-9-20(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)21-13-19(26(31)32)8-10-22(21)28/h5-13,30H,14-15H2,1-4H3,(H,31,32)
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n/an/an/an/a 1.10E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290559
PNG
(US10099993, Compound 140)
Show SMILES COc1ccc(cc1C(O)=O)-c1cccc(COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
Show InChI InChI=1S/C28H30O6/c1-17-24(12-10-21(26(17)30)23(29)15-28(2,3)4)34-16-18-7-6-8-19(13-18)20-9-11-25(33-5)22(14-20)27(31)32/h6-14,30H,15-16H2,1-5H3,(H,31,32)
PDB

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n/an/an/an/a 8.41E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290560
PNG
(US10099993, Compound 141)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(C(O)=O)c(Cl)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27ClO5/c1-16-24(11-10-21(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)19-8-9-20(26(31)32)22(28)13-19/h5-13,30H,14-15H2,1-4H3,(H,31,32)
PDB

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n/an/an/an/a 391n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290560
PNG
(US10099993, Compound 141)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(C(O)=O)c(Cl)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27ClO5/c1-16-24(11-10-21(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)19-8-9-20(26(31)32)22(28)13-19/h5-13,30H,14-15H2,1-4H3,(H,31,32)
PDB

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n/an/an/an/a 656n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290561
PNG
(US10099993, Compound 142)
Show SMILES Cc1c(O)c(ccc1OCc1ccc(cc1)-c1cccc(c1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H28O5/c1-17-24(13-12-22(25(17)29)23(28)15-27(2,3)4)32-16-18-8-10-19(11-9-18)20-6-5-7-21(14-20)26(30)31/h5-14,29H,15-16H2,1-4H3,(H,30,31)
PDB

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n/an/an/an/a 3.18E+3n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290561
PNG
(US10099993, Compound 142)
Show SMILES Cc1c(O)c(ccc1OCc1ccc(cc1)-c1cccc(c1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H28O5/c1-17-24(13-12-22(25(17)29)23(28)15-27(2,3)4)32-16-18-8-10-19(11-9-18)20-6-5-7-21(14-20)26(30)31/h5-14,29H,15-16H2,1-4H3,(H,30,31)
PDB

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n/an/an/an/a 2.20E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290562
PNG
(US10099993, Compound 143)
Show SMILES Cc1cc(ccc1C(O)=O)-c1cccc(COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
Show InChI InChI=1S/C28H30O5/c1-17-13-21(9-10-22(17)27(31)32)20-8-6-7-19(14-20)16-33-25-12-11-23(26(30)18(25)2)24(29)15-28(3,4)5/h6-14,30H,15-16H2,1-5H3,(H,31,32)
PDB

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n/an/an/an/a 571n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290562
PNG
(US10099993, Compound 143)
Show SMILES Cc1cc(ccc1C(O)=O)-c1cccc(COc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
Show InChI InChI=1S/C28H30O5/c1-17-13-21(9-10-22(17)27(31)32)20-8-6-7-19(14-20)16-33-25-12-11-23(26(30)18(25)2)24(29)15-28(3,4)5/h6-14,30H,15-16H2,1-5H3,(H,31,32)
PDB

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n/an/an/an/a 3.06E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290563
PNG
(US10099993, Compound 144)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(O)c(c1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H28O6/c1-16-24(11-9-20(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)19-8-10-22(28)21(13-19)26(31)32/h5-13,28,30H,14-15H2,1-4H3,(H,31,32)
PDB

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n/an/an/an/a 232n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290563
PNG
(US10099993, Compound 144)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(O)c(c1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H28O6/c1-16-24(11-9-20(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)19-8-10-22(28)21(13-19)26(31)32/h5-13,28,30H,14-15H2,1-4H3,(H,31,32)
PDB

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n/an/an/an/a 701n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290564
PNG
(US10099993, Compound 145)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(CC(O)=O)c1)C(=O)CC(C)(C)C
Show InChI InChI=1S/C28H30O5/c1-18-25(12-11-23(27(18)32)24(29)16-28(2,3)4)33-17-20-8-6-10-22(14-20)21-9-5-7-19(13-21)15-26(30)31/h5-14,32H,15-17H2,1-4H3,(H,30,31)
PDB

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n/an/an/an/a 3.94E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290565
PNG
(US10099993, Compound 146)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1cc(cc(c1)[N+]([O-])=O)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27NO7/c1-16-24(9-8-22(25(16)30)23(29)14-27(2,3)4)35-15-17-6-5-7-18(10-17)19-11-20(26(31)32)13-21(12-19)28(33)34/h5-13,30H,14-15H2,1-4H3,(H,31,32)
PDB

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n/an/an/an/a 564n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290565
PNG
(US10099993, Compound 146)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1cc(cc(c1)[N+]([O-])=O)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27NO7/c1-16-24(9-8-22(25(16)30)23(29)14-27(2,3)4)35-15-17-6-5-7-18(10-17)19-11-20(26(31)32)13-21(12-19)28(33)34/h5-13,30H,14-15H2,1-4H3,(H,31,32)
PDB

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n/an/an/an/a 2.13E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290566
PNG
(US10099993, Compound 147)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(cc1Cl)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27ClO5/c1-16-24(11-10-21(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)20-9-8-19(26(31)32)13-22(20)28/h5-13,30H,14-15H2,1-4H3,(H,31,32)
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n/an/an/an/a 460n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290566
PNG
(US10099993, Compound 147)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1ccc(cc1Cl)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27ClO5/c1-16-24(11-10-21(25(16)30)23(29)14-27(2,3)4)33-15-17-6-5-7-18(12-17)20-9-8-19(26(31)32)13-22(20)28/h5-13,30H,14-15H2,1-4H3,(H,31,32)
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n/an/an/an/a 2.28E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290567
PNG
(US10099993, Compound 148)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C(O)=O)C(=O)CCC(C)(C)C
Show InChI InChI=1S/C28H30O5/c1-18-25(12-11-23(26(18)30)24(29)13-14-28(2,3)4)33-17-19-7-5-8-20(15-19)21-9-6-10-22(16-21)27(31)32/h5-12,15-16,30H,13-14,17H2,1-4H3,(H,31,32)
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n/an/an/an/a 2.11E+3n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290567
PNG
(US10099993, Compound 148)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C(O)=O)C(=O)CCC(C)(C)C
Show InChI InChI=1S/C28H30O5/c1-18-25(12-11-23(26(18)30)24(29)13-14-28(2,3)4)33-17-19-7-5-8-20(15-19)21-9-6-10-22(16-21)27(31)32/h5-12,15-16,30H,13-14,17H2,1-4H3,(H,31,32)
PDB

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n/an/an/an/a 2.58E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290568
PNG
(US10099993, Compound 149)
Show SMILES Cc1c(OCc2ccnc(c2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Show InChI InChI=1S/C26H27NO5/c1-16-23(9-8-20(24(16)29)22(28)14-26(2,3)4)32-15-17-10-11-27-21(12-17)18-6-5-7-19(13-18)25(30)31/h5-13,29H,14-15H2,1-4H3,(H,30,31)
PDB

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n/an/an/an/a 230n/an/a7.325



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent


Assay Description
Human Embryonic Kidney (HEK-293) cell lines co-expressing rat mGlu receptors 2, 3, 4, 6, 7 or 8 and G protein-coupled inwardly-rectifying potassium (...


US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM290568
PNG
(US10099993, Compound 149)
Show SMILES Cc1c(OCc2ccnc(c2)-c2cccc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Show InChI InChI=1S/C26H27NO5/c1-16-23(9-8-20(24(16)29)22(28)14-26(2,3)4)32-15-17-10-11-27-21(12-17)18-6-5-7-19(13-18)25(30)31/h5-13,29H,14-15H2,1-4H3,(H,30,31)
PDB

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n/an/an/an/a 203n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)


BindingDB Entry DOI: 10.7270/Q2Z89FFP
More data for this
Ligand-Target Pair
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