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Patent code US10099993

Compile Data Set for Download or QSAR

Found 358 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 3


(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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(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)

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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(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)

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)

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)
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290570
PNG
(US10099993, Compound 151)
Show SMILES Cc1c(O)c(ccc1OCc1cccc(c1)-c1cccc(c1)C#N)C(=O)CC(C)(C)C
Show InChI InChI=1S/C27H27NO3/c1-18-25(12-11-23(26(18)30)24(29)15-27(2,3)4)31-17-20-8-6-10-22(14-20)21-9-5-7-19(13-21)16-28/h5-14,30H,15,17H2,1-4H3
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290585
PNG
(US10099993, Compound 169 | US10099993, Compound 17...)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(c2)-c2ccc(Cl)c(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C26H25ClO5/c1-15(2)11-23(28)20-8-10-24(16(3)25(20)29)32-14-17-5-4-6-18(12-17)19-7-9-22(27)21(13-19)26(30)31/h4-10,12-13,15,29H,11,14H2,1-3H3,(H,30,31)
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n/an/an/an/a 278n/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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290590
PNG
(US10099993, Compound 175)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(OCc3ccccn3)c2)c(C)c1C
Show InChI InChI=1S/C26H29NO3/c1-18(2)14-25(28)24-11-12-26(20(4)19(24)3)30-16-21-8-7-10-23(15-21)29-17-22-9-5-6-13-27-22/h5-13,15,18H,14,16-17H2,1-4H3
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290591
PNG
(US10099993, Compound 176)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(OCc3ccccn3)c2)c(C)c1O
Show InChI InChI=1S/C25H27NO4/c1-17(2)13-23(27)22-10-11-24(18(3)25(22)28)30-15-19-7-6-9-21(14-19)29-16-20-8-4-5-12-26-20/h4-12,14,17,28H,13,15-16H2,1-3H3
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SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290594
PNG
(US10099993, Compound 179)
Show SMILES Cc1c(OCc2cccc(c2)-c2cncc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Show InChI InChI=1S/C26H27NO5/c1-16-23(9-8-21(24(16)29)22(28)12-26(2,3)4)32-15-17-6-5-7-18(10-17)19-11-20(25(30)31)14-27-13-19/h5-11,13-14,29H,12,15H2,1-4H3,(H,30,31)
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n/an/an/an/a 848n/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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290594
PNG
(US10099993, Compound 179)
Show SMILES Cc1c(OCc2cccc(c2)-c2cncc(c2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Show InChI InChI=1S/C26H27NO5/c1-16-23(9-8-21(24(16)29)22(28)12-26(2,3)4)32-15-17-6-5-7-18(10-17)19-11-20(25(30)31)14-27-13-19/h5-11,13-14,29H,12,15H2,1-4H3,(H,30,31)
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n/an/an/an/a 1.02E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290595
PNG
(US10099993, Compound 180)
Show SMILES Cc1c(OCc2cccc(c2)-c2cnccc2C(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)13-26(2,3)4)32-15-17-6-5-7-18(12-17)21-14-27-11-10-19(21)25(30)31/h5-12,14,29H,13,15H2,1-4H3,(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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290596
PNG
(US10099993, Compound 181)
Show SMILES Cc1c(OCc2cccc(c2)-c2cnc(cn2)C(O)=O)ccc(C(=O)CC(C)(C)C)c1O
Show InChI InChI=1S/C25H26N2O5/c1-15-22(9-8-18(23(15)29)21(28)11-25(2,3)4)32-14-16-6-5-7-17(10-16)19-12-27-20(13-26-19)24(30)31/h5-10,12-13,29H,11,14H2,1-4H3,(H,30,31)
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n/an/an/an/a 4.28E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM50155713
PNG
(1-{2-Hydroxy-3-methyl-4-[4-(pyridin-2-ylsulfanyl)-...)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCSc2ccccn2)c(C)c1O
Show InChI InChI=1S/C21H27NO3S/c1-15(2)14-18(23)17-9-10-19(16(3)21(17)24)25-12-6-7-13-26-20-8-4-5-11-22-20/h4-5,8-11,15,24H,6-7,12-14H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290603
PNG
(US10099993, Compound 188)
Show SMILES Cc1c(C)c(ccc1OCCCCSc1ccncc1)C(=O)CC1CCCC1
Show InChI InChI=1S/C24H31NO2S/c1-18-19(2)24(10-9-22(18)23(26)17-20-7-3-4-8-20)27-15-5-6-16-28-21-11-13-25-14-12-21/h9-14,20H,3-8,15-17H2,1-2H3
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290605
PNG
(US10099993, Compound 190)
Show SMILES CCCc1c(O)c(ccc1OCCCCOc1ccc(OC=O)cc1OC)C(C)=O
Show InChI InChI=1S/C23H28O7/c1-4-7-19-20(11-9-18(16(2)25)23(19)26)28-12-5-6-13-29-21-10-8-17(30-15-24)14-22(21)27-3/h8-11,14-15,26H,4-7,12-13H2,1-3H3
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SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(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)
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n/an/an/an/a 1.36E+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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290453
PNG
(US10099993, Compound 34)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1C
Show InChI InChI=1S/C24H29FO5/c1-15(2)13-22(26)19-8-10-23(17(4)16(19)3)30-12-6-5-11-29-18-7-9-21(25)20(14-18)24(27)28/h7-10,14-15H,5-6,11-13H2,1-4H3,(H,27,28)
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50017211
PNG
(CHEMBL3287695 | US10099993, Compound 44)
Show SMILES COc1cc(ccc1OCCCCOc1ccc(C(=O)CC(C)C)c(O)c1C)C(O)=O
Show InChI InChI=1S/C24H30O7/c1-15(2)13-19(25)18-8-10-20(16(3)23(18)26)30-11-5-6-12-31-21-9-7-17(24(27)28)14-22(21)29-4/h7-10,14-15,26H,5-6,11-13H2,1-4H3,(H,27,28)
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US Patent
n/an/an/an/a 40n/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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290523
PNG
(US10099993, Compound 104)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)c1ccccc1
Show InChI InChI=1S/C31H36O6/c1-21-26(16-14-24(29(21)33)25(32)20-31(2,3)4)36-17-9-10-18-37-28-19-23(13-15-27(28)35-5)30(34)22-11-7-6-8-12-22/h6-8,11-16,19,33H,9-10,17-18,20H2,1-5H3
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290432
PNG
(US10099993, Compound 6)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(\C=C\C(O)=O)c(O)c2)c(C)c1O
Show InChI InChI=1S/C25H30O7/c1-16(2)14-22(27)20-9-10-23(17(3)25(20)30)32-13-5-4-12-31-19-8-6-18(21(26)15-19)7-11-24(28)29/h6-11,15-16,26,30H,4-5,12-14H2,1-3H3,(H,28,29)/b11-7+
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290434
PNG
(US10099993, Compound 15)
Show SMILES COC(=O)c1ccc(OCCCCOc2ccc(C(=O)CC3CCCC3)c(C)c2C)cc1
Show InChI InChI=1S/C27H34O5/c1-19-20(2)26(15-14-24(19)25(28)18-21-8-4-5-9-21)32-17-7-6-16-31-23-12-10-22(11-13-23)27(29)30-3/h10-15,21H,4-9,16-18H2,1-3H3
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290435
PNG
(US10099993, Compound 16)
Show SMILES COC(=O)c1ccc(OCCCCOc2ccc(C(=O)CC(C)C)c(O)c2C)cc1
Show InChI InChI=1S/C24H30O6/c1-16(2)15-21(25)20-11-12-22(17(3)23(20)26)30-14-6-5-13-29-19-9-7-18(8-10-19)24(27)28-4/h7-12,16,26H,5-6,13-15H2,1-4H3
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290437
PNG
(US10099993, Compound 18)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(cc2)C(O)=O)c(C)c1C
Show InChI InChI=1S/C24H30O5/c1-16(2)15-22(25)21-11-12-23(18(4)17(21)3)29-14-6-5-13-28-20-9-7-19(8-10-20)24(26)27/h7-12,16H,5-6,13-15H2,1-4H3,(H,26,27)
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290441
PNG
(US10099993, Compound 22)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2cccc(c2)C(O)=O)c(C)c1C
Show InChI InChI=1S/C24H30O5/c1-16(2)14-22(25)21-10-11-23(18(4)17(21)3)29-13-6-5-12-28-20-9-7-8-19(15-20)24(26)27/h7-11,15-16H,5-6,12-14H2,1-4H3,(H,26,27)
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50017246
PNG
(CHEMBL3287687 | US10099993, Compound 36)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C23H27FO6/c1-14(2)12-20(25)17-7-9-21(15(3)22(17)26)30-11-5-4-10-29-16-6-8-19(24)18(13-16)23(27)28/h6-9,13-14,26H,4-5,10-12H2,1-3H3,(H,27,28)
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n/an/an/an/a 153n/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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290464
PNG
(US10099993, Compound 45)
Show SMILES COc1cc(ccc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
Show InChI InChI=1S/C26H32O7/c1-17-22(12-10-20(25(17)28)21(27)15-18-7-3-4-8-18)32-13-5-6-14-33-23-11-9-19(26(29)30)16-24(23)31-2/h9-12,16,18,28H,3-8,13-15H2,1-2H3,(H,29,30)
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n/an/an/an/a 228n/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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50017256
PNG
(CHEMBL3287698 | US10099993, Compound 47)
Show SMILES Cc1c(O)c(ccc1OCCCCOc1ccc(cc1Cl)C(O)=O)C(=O)CC1CCCC1
Show InChI InChI=1S/C25H29ClO6/c1-16-22(11-9-19(24(16)28)21(27)14-17-6-2-3-7-17)31-12-4-5-13-32-23-10-8-18(25(29)30)15-20(23)26/h8-11,15,17,28H,2-7,12-14H2,1H3,(H,29,30)
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n/an/an/an/a 237n/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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM50017256
PNG
(CHEMBL3287698 | US10099993, Compound 47)
Show SMILES Cc1c(O)c(ccc1OCCCCOc1ccc(cc1Cl)C(O)=O)C(=O)CC1CCCC1
Show InChI InChI=1S/C25H29ClO6/c1-16-22(11-9-19(24(16)28)21(27)14-17-6-2-3-7-17)31-12-4-5-13-32-23-10-8-18(25(29)30)15-20(23)26/h8-11,15,17,28H,2-7,12-14H2,1H3,(H,29,30)
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM50017257
PNG
(CHEMBL3287699 | US10099993, Compound 48)
Show SMILES CC(C)CC(=O)c1ccc(OCCCCOc2ccc(C(O)=O)c(C)c2)c(C)c1O
Show InChI InChI=1S/C24H30O6/c1-15(2)13-21(25)20-9-10-22(17(4)23(20)26)30-12-6-5-11-29-18-7-8-19(24(27)28)16(3)14-18/h7-10,14-15,26H,5-6,11-13H2,1-4H3,(H,27,28)
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n/an/an/an/a 3.91E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM50017260
PNG
(CHEMBL3287702 | US10099993, Compound 51)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC2CCCC2)c(O)c1C)C(O)=O
Show InChI InChI=1S/C26H32O7/c1-17-22(12-10-20(25(17)28)21(27)15-18-7-3-4-8-18)32-13-5-6-14-33-24-16-19(26(29)30)9-11-23(24)31-2/h9-12,16,18,28H,3-8,13-15H2,1-2H3,(H,29,30)
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n/an/an/an/a 1.02E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM50017279
PNG
(CHEMBL3287703 | US10099993, Compound 52)
Show SMILES COc1cc(ccc1OCCCCOc1ccc(C(C)=O)c(O)c1C)C(O)=O
Show InChI InChI=1S/C21H24O7/c1-13-17(9-7-16(14(2)22)20(13)23)27-10-4-5-11-28-18-8-6-15(21(24)25)12-19(18)26-3/h6-9,12,23H,4-5,10-11H2,1-3H3,(H,24,25)
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50017280
PNG
(CHEMBL3287704 | US10099993, Compound 53)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(C)=O)c(O)c1C)C(O)=O
Show InChI InChI=1S/C21H24O7/c1-13-17(9-7-16(14(2)22)20(13)23)27-10-4-5-11-28-19-12-15(21(24)25)6-8-18(19)26-3/h6-9,12,23H,4-5,10-11H2,1-3H3,(H,24,25)
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n/an/an/an/a 1.09E+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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM50017261
PNG
(CHEMBL3287709 | US10099993, Compound 58)
Show SMILES CCC(=O)c1ccc(OCCCCOc2cc(ccc2OC)C(O)=O)c(C)c1O
Show InChI InChI=1S/C22H26O7/c1-4-17(23)16-8-10-18(14(2)21(16)24)28-11-5-6-12-29-20-13-15(22(25)26)7-9-19(20)27-3/h7-10,13,24H,4-6,11-12H2,1-3H3,(H,25,26)
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n/an/an/an/a 6.36E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50017286
PNG
(CHEMBL3287711 | US10099993, Compound 60)
Show SMILES CCC(=O)c1ccc(OCCCCOc2ccc(F)c(c2)C(O)=O)c(C)c1O
Show InChI InChI=1S/C21H23FO6/c1-3-18(23)15-7-9-19(13(2)20(15)24)28-11-5-4-10-27-14-6-8-17(22)16(12-14)21(25)26/h6-9,12,24H,3-5,10-11H2,1-2H3,(H,25,26)
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n/an/an/an/a 124n/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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM50017289
PNG
(CHEMBL3287715 | US10099993, Compound 64)
Show SMILES CC(C)C(=O)c1ccc(OCCCCOc2cccc(C(O)=O)c2C)c(C)c1O
Show InChI InChI=1S/C23H28O6/c1-14(2)21(24)18-10-11-20(16(4)22(18)25)29-13-6-5-12-28-19-9-7-8-17(15(19)3)23(26)27/h7-11,14,25H,5-6,12-13H2,1-4H3,(H,26,27)
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50017271
PNG
(CHEMBL3287726 | US10099993, Compound 75)
Show SMILES Cc1c(O)c(ccc1OCCCCOc1ccc(F)c(c1)C(O)=O)C(=O)CC(C)(C)C
Show InChI InChI=1S/C24H29FO6/c1-15-21(10-8-17(22(15)27)20(26)14-24(2,3)4)31-12-6-5-11-30-16-7-9-19(25)18(13-16)23(28)29/h7-10,13,27H,5-6,11-12,14H2,1-4H3,(H,28,29)
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290506
PNG
(US10099993, Compound 87)
Show SMILES COc1ccc(C)cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1B1OC(C)(C)C(C)(C)O1
Show InChI InChI=1S/C30H43BO7/c1-20-12-14-23(34-9)25(18-20)36-17-11-10-16-35-24-15-13-21(22(32)19-28(2,3)4)27(33)26(24)31-37-29(5,6)30(7,8)38-31/h12-15,18,33H,10-11,16-17,19H2,1-9H3
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290508
PNG
(US10099993, Compound 89)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NO
Show InChI InChI=1S/C25H33NO7/c1-16-20(11-9-18(23(16)28)19(27)15-25(2,3)4)32-12-6-7-13-33-22-14-17(24(29)26-30)8-10-21(22)31-5/h8-11,14,28,30H,6-7,12-13,15H2,1-5H3,(H,26,29)
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290509
PNG
(US10099993, Compound 90)
Show SMILES CONC(=O)c1ccc(OC)c(OCCCCOc2ccc(C(=O)CC(C)(C)C)c(O)c2C)c1
Show InChI InChI=1S/C26H35NO7/c1-17-21(12-10-19(24(17)29)20(28)16-26(2,3)4)33-13-7-8-14-34-23-15-18(25(30)27-32-6)9-11-22(23)31-5/h9-12,15,29H,7-8,13-14,16H2,1-6H3,(H,27,30)
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n/an/an/an/a 6.60E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290512
PNG
(US10099993, Compound 93)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C26H35NO8S/c1-17-21(12-10-19(24(17)29)20(28)16-26(2,3)4)34-13-7-8-14-35-23-15-18(9-11-22(23)33-5)25(30)27-36(6,31)32/h9-12,15,29H,7-8,13-14,16H2,1-6H3,(H,27,30)
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n/an/an/an/a 265n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290514
PNG
(US10099993, Compound 95)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)B(O)O
Show InChI InChI=1S/C24H33BO7/c1-16-20(11-9-18(23(16)27)19(26)15-24(2,3)4)31-12-6-7-13-32-22-14-17(25(28)29)8-10-21(22)30-5/h8-11,14,27-29H,6-7,12-13,15H2,1-5H3
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290528
PNG
(US10099993, Compound 109)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NC1CC1
Show InChI InChI=1S/C28H37NO6/c1-18-23(13-11-21(26(18)31)22(30)17-28(2,3)4)34-14-6-7-15-35-25-16-19(8-12-24(25)33-5)27(32)29-20-9-10-20/h8,11-13,16,20,31H,6-7,9-10,14-15,17H2,1-5H3,(H,29,32)
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n/an/an/an/a 578n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM290532
PNG
(US10099993, Compound 113)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H37NO8S/c1-21-26(16-14-24(29(21)34)25(33)20-31(2,3)4)39-17-9-10-18-40-28-19-22(13-15-27(28)38-5)30(35)32-41(36,37)23-11-7-6-8-12-23/h6-8,11-16,19,34H,9-10,17-18,20H2,1-5H3,(H,32,35)
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n/an/an/an/a 872n/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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290532
PNG
(US10099993, Compound 113)
Show SMILES COc1ccc(cc1OCCCCOc1ccc(C(=O)CC(C)(C)C)c(O)c1C)C(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C31H37NO8S/c1-21-26(16-14-24(29(21)34)25(33)20-31(2,3)4)39-17-9-10-18-40-28-19-22(13-15-27(28)38-5)30(35)32-41(36,37)23-11-7-6-8-12-23/h6-8,11-16,19,34H,9-10,17-18,20H2,1-5H3,(H,32,35)
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n/an/an/an/a 1.08E+3n/an/an/an/a



SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE

US Patent




US Patent US10099993 (2018)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(HUMAN)
BDBM290534
PNG
(US10099993, Compound 115)
Show SMILES CC(C)CC(=O)c1ccc(OCc2cccc(COc3ccc(cc3)C#N)c2)c(C)c1C
Show InChI InChI=1S/C28H29NO3/c1-19(2)14-27(30)26-12-13-28(21(4)20(26)3)32-18-24-7-5-6-23(15-24)17-31-25-10-8-22(16-29)9-11-25/h5-13,15,19H,14,17-18H2,1-4H3
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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)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(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+
PDB

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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)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%