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Compile Data Set for Download or QSAR

Found 26 hits of ec50 data for complexid = 50003585,50003633   
Target
(Institution)
LigandTarget
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
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222990
PNG
(US9315518, 34-3)
Show SMILES CC1C(C1C(C)(C)O)c1ccc2N(CC3CC3(F)F)S(=O)(=O)N(C)c2n1
Show InChI InChI=1/C17H23F2N3O3S/c1-9-13(14(9)16(2,3)23)11-5-6-12-15(20-11)21(4)26(24,25)22(12)8-10-7-17(10,18)19/h5-6,9-10,13-14,23H,7-8H2,1-4H3
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US Patent
n/an/an/an/a 14.4n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222972
PNG
(US9315518, 2-7 | US9315518, 5-2)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1ccon1
Show InChI InChI=1/C23H27N5O3/c1-23(2,3)13-28-19-8-7-17(24-20(19)26(4)22(28)30)16-11-15-6-5-14(16)12-27(15)21(29)18-9-10-31-25-18/h7-11,14-15H,5-6,12-13H2,1-4H3
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US Patent
n/an/an/an/a 16.0n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222977
PNG
(US9315518, 8-38)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CN(CC2C1)C(=O)c1ncco1
Show InChI InChI=1/C23H27N5O3/c1-23(2,3)13-28-18-6-5-17(25-19(18)26(4)22(28)30)14-9-15-11-27(12-16(15)10-14)21(29)20-24-7-8-31-20/h5-9,15-16H,10-13H2,1-4H3
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US Patent
n/an/an/an/a 17.9n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222971
PNG
(US9315518, 2-34)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1ncco1
Show InChI InChI=1/C23H27N5O3/c1-23(2,3)13-28-18-8-7-17(25-19(18)26(4)22(28)30)16-11-15-6-5-14(16)12-27(15)21(29)20-24-9-10-31-20/h7-11,14-15H,5-6,12-13H2,1-4H3
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US Patent
n/an/an/an/a 22.8n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222967
PNG
(US9315518, 2-8)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1csnn1
Show InChI InChI=1/C22H26N6O2S/c1-22(2,3)12-28-18-8-7-16(23-19(18)26(4)21(28)30)15-9-14-6-5-13(15)10-27(14)20(29)17-11-31-25-24-17/h7-9,11,13-14H,5-6,10,12H2,1-4H3
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US Patent
n/an/an/an/a 28.1n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222973
PNG
(US9315518, 6-4)
Show SMILES Cn1c2nc(ccc2n(CC2CC2(F)F)c1=O)C1=CC2CCC1CN2C(=O)c1ccon1
Show InChI InChI=1/C22H21F2N5O3/c1-27-19-18(29(21(27)31)11-13-9-22(13,23)24)5-4-16(25-19)15-8-14-3-2-12(15)10-28(14)20(30)17-6-7-32-26-17/h4-8,12-14H,2-3,9-11H2,1H3
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US Patent
n/an/an/an/a 29.0n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222984
PNG
(US9315518, 18-200)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1CCC(C)(C)C(C1)NC(=O)c1cnsn1
Show InChI InChI=1/C23H32N6O2S/c1-22(2,3)13-29-17-8-7-15(25-19(17)28(6)21(29)31)14-9-10-23(4,5)18(11-14)26-20(30)16-12-24-32-27-16/h7-8,12,14,18H,9-11,13H2,1-6H3,(H,26,30)
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US Patent
n/an/an/an/a 43.2n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222987
PNG
(US9315518, 24-7)
Show SMILES CN1c2nc(ccc2N(CC2CC2(F)F)S1(=O)=O)C1=CC2CN(CC2C1)C(=O)C(C)(C)O
Show InChI InChI=1/C21H26F2N4O4S/c1-20(2,29)19(28)26-9-13-6-12(7-14(13)10-26)16-4-5-17-18(24-16)25(3)32(30,31)27(17)11-15-8-21(15,22)23/h4-6,13-15,29H,7-11H2,1-3H3
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US Patent
n/an/an/an/a 48.5n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222970
PNG
(US9315518, 2-22)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)Cn1cncn1
Show InChI InChI=1/C23H29N7O2/c1-23(2,3)12-30-19-8-7-18(26-21(19)27(4)22(30)32)17-9-16-6-5-15(17)10-29(16)20(31)11-28-14-24-13-25-28/h7-9,13-16H,5-6,10-12H2,1-4H3
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US Patent
n/an/an/an/a 56.1n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222969
PNG
(US9315518, 2-16)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)C1CC1
Show InChI InChI=1/C23H30N4O2/c1-23(2,3)13-27-19-10-9-18(24-20(19)25(4)22(27)29)17-11-16-8-7-15(17)12-26(16)21(28)14-5-6-14/h9-11,14-16H,5-8,12-13H2,1-4H3
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US Patent
n/an/an/an/a 64.1n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222968
PNG
(US9315518, 2-9)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1cccnc1
Show InChI InChI=1/C25H29N5O2/c1-25(2,3)15-30-21-10-9-20(27-22(21)28(4)24(30)32)19-12-18-8-7-17(19)14-29(18)23(31)16-6-5-11-26-13-16/h5-6,9-13,17-18H,7-8,14-15H2,1-4H3
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US Patent
n/an/an/an/a 100n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222986
PNG
(US9315518, 19-62)
Show SMILES Cc1cccc(c1)S(=O)(=O)NC1CC(CCC1(C)C)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
Show InChI InChI=1/C27H38N4O3S/c1-18-9-8-10-20(15-18)35(33,34)29-23-16-19(13-14-27(23,5)6)21-11-12-22-24(28-21)30(7)25(32)31(22)17-26(2,3)4/h8-12,15,19,23,29H,13-14,16-17H2,1-7H3
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n/an/an/an/a 116n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222979
PNG
(US9315518, 14-6)
Show SMILES Cn1c2nc(ccc2n(CC2CC2(F)F)c1=O)C1=CC2CN(CC2C1)C(=O)c1ncco1
Show InChI InChI=1/C22H21F2N5O3/c1-27-18-17(29(21(27)31)11-15-8-22(15,23)24)3-2-16(26-18)12-6-13-9-28(10-14(13)7-12)20(30)19-25-4-5-32-19/h2-6,13-15H,7-11H2,1H3
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US Patent
n/an/an/an/a 123n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222976
PNG
(US9315518, 8-14)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CN(CC2C1)C(=O)C1(O)CCC1
Show InChI InChI=1/C24H32N4O3/c1-23(2,3)14-28-19-7-6-18(25-20(19)26(4)22(28)30)15-10-16-12-27(13-17(16)11-15)21(29)24(31)8-5-9-24/h6-7,10,16-17,31H,5,8-9,11-14H2,1-4H3
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US Patent
n/an/an/an/a 134n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222988
PNG
(US9315518, 24-20)
Show SMILES CN1c2nc(ccc2N(CC2CC2(F)F)S1(=O)=O)C1=CCN(C1)C(=O)c1ccon1
Show InChI InChI=1/C18H17F2N5O4S/c1-23-16-15(25(30(23,27)28)10-12-8-18(12,19)20)3-2-13(21-16)11-4-6-24(9-11)17(26)14-5-7-29-22-14/h2-5,7,12H,6,8-10H2,1H3
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US Patent
n/an/an/an/a 177n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222975
PNG
(US9315518, 8-9)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CN(CC2C1)C(=O)CO
Show InChI InChI=1/C21H28N4O3/c1-21(2,3)12-25-17-6-5-16(22-19(17)23(4)20(25)28)13-7-14-9-24(18(27)11-26)10-15(14)8-13/h5-7,14-15,26H,8-12H2,1-4H3
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US Patent
n/an/an/an/a 270n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222972
PNG
(US9315518, 2-7 | US9315518, 5-2)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CCC1CN2C(=O)c1ccon1
Show InChI InChI=1/C23H27N5O3/c1-23(2,3)13-28-19-8-7-17(24-20(19)26(4)22(28)30)16-11-15-6-5-14(16)12-27(15)21(29)18-9-10-31-25-18/h7-11,14-15H,5-6,12-13H2,1-4H3
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US Patent
n/an/an/an/a 322n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222981
PNG
(US9315518, 17-20)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CCC(CC1)NC(=O)C1CCCO1
Show InChI InChI=1/C23H32N4O3/c1-23(2,3)14-27-18-12-11-17(25-20(18)26(4)22(27)29)15-7-9-16(10-8-15)24-21(28)19-6-5-13-30-19/h7,11-12,16,19H,5-6,8-10,13-14H2,1-4H3,(H,24,28)
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US Patent
n/an/an/an/a 333n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222989
PNG
(US9315518, 25-5)
Show SMILES CN1c2nc(ccc2N(CC2CC2(F)F)S1(=O)=O)C1CCCNC1
Show InChI InChI=1/C15H20F2N4O2S/c1-20-14-13(5-4-12(19-14)10-3-2-6-18-8-10)21(24(20,22)23)9-11-7-15(11,16)17/h4-5,10-11,18H,2-3,6-9H2,1H3
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US Patent
n/an/an/an/a 359n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222978
PNG
(US9315518, 11-5)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1CC2CN(CC2C1)C(=O)c1ncco1
Show InChI InChI=1/C23H29N5O3/c1-23(2,3)13-28-18-6-5-17(25-19(18)26(4)22(28)30)14-9-15-11-27(12-16(15)10-14)21(29)20-24-7-8-31-20/h5-8,14-16H,9-13H2,1-4H3
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US Patent
n/an/an/an/a 391n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222974
PNG
(US9315518, 8-6)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CC2CN(CC2C1)C(=O)C1(O)CCN(C1)C(=O)OC(C)(C)C
Show InChI InChI=1/C29H41N5O5/c1-27(2,3)16-34-22-9-8-21(30-23(22)31(7)25(34)36)18-12-19-14-33(15-20(19)13-18)24(35)29(38)10-11-32(17-29)26(37)39-28(4,5)6/h8-9,12,19-20,38H,10-11,13-17H2,1-7H3
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US Patent
n/an/an/an/a 513n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222980
PNG
(US9315518, 17-15)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1=CCC(CC1)C(=O)NCc1ncco1
Show InChI InChI=1/C23H29N5O3/c1-23(2,3)14-28-18-10-9-17(26-20(18)27(4)22(28)30)15-5-7-16(8-6-15)21(29)25-13-19-24-11-12-31-19/h5,9-12,16H,6-8,13-14H2,1-4H3,(H,25,29)
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US Patent
n/an/an/an/a 594n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222985
PNG
(US9315518, 19-4)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCCC(C1)c1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
Show InChI InChI=1/C21H30N6O3S/c1-21(2,3)13-27-17-9-8-16(23-19(17)25(5)20(27)28)15-7-6-10-26(11-15)31(29,30)18-12-24(4)14-22-18/h8-9,12,14-15H,6-7,10-11,13H2,1-5H3
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AffyNet 
US Patent
n/an/an/an/a 951n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222983
PNG
(US9315518, 18-42)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1CCC(C)(C)C(C1)NC(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1/C28H35F3N4O3/c1-26(2,3)16-35-21-12-11-20(32-23(21)34(6)25(35)37)18-13-14-27(4,5)22(15-18)33-24(36)17-7-9-19(10-8-17)38-28(29,30)31/h7-12,18,22H,13-16H2,1-6H3,(H,33,36)
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US Patent
n/an/an/an/a 986n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222991
PNG
(US9315518, 38-5)
Show SMILES Cn1cnc(c1)C(=O)NCCCCc1ccc2n(CC(C)(C)C)c(=O)n(C)c2n1
Show InChI InChI=1S/C21H30N6O2/c1-21(2,3)13-27-17-10-9-15(24-18(17)26(5)20(27)29)8-6-7-11-22-19(28)16-12-25(4)14-23-16/h9-10,12,14H,6-8,11,13H2,1-5H3,(H,22,28)
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n/an/an/an/a 1.18E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair
mGluR2 and G alpha 16


(Homo sapiens (Human))
BDBM222982
PNG
(US9315518, 18-10)
Show SMILES Cn1c2nc(ccc2n(CC(C)(C)C)c1=O)C1CCC(C)(C)C(C1)NC(=O)CCn1cncn1
Show InChI InChI=1/C25H37N7O2/c1-24(2,3)14-32-19-8-7-18(28-22(19)30(6)23(32)34)17-9-11-25(4,5)20(13-17)29-21(33)10-12-31-16-26-15-27-31/h7-8,15-17,20H,9-14H2,1-6H3,(H,29,33)
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US Patent
n/an/an/an/a 2.19E+3n/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The compounds of the present invention may be tested in a fluorescence laser imaging plate reader (FLIPR) based assay. This assay is a common functio...


US Patent US9315518 (2016)

More data for this
Ligand-Target Pair