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Patent code US11034699

Compile Data Set for Download or QSAR
Found 17 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504282
PNG
((4S)-3′-[2,6-Difluoro-4-[2-(3-pyridyl)ethyny...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCOc2ccccc12)c1c(F)cc(cc1F)C#Cc1cccnc1
Show InChI InChI=1S/C26H19F2N3O3/c1-30-25(33)31(23(32)15-26(30)10-12-34-22-7-3-2-6-19(22)26)24-20(27)13-18(14-21(24)28)9-8-17-5-4-11-29-16-17/h2-7,11,13-14,16H,10,12,15H2,1H3/t26-/m0/s1
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n/an/an/an/a 88n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504287
PNG
((4S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCCc2nn(C)cc12)c1c(F)cc(cc1F)C#Cc1ccccc1
Show InChI InChI=1S/C26H22F2N4O2/c1-30-16-19-22(29-30)9-6-12-26(19)15-23(33)32(25(34)31(26)2)24-20(27)13-18(14-21(24)28)11-10-17-7-4-3-5-8-17/h3-5,7-8,13-14,16H,6,9,12,15H2,1-2H3/t26-/m0/s1
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n/an/an/an/a 39n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504290
PNG
((4S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCCCc2c1cnn2C)c1c(F)cc(cc1F)C#Cc1ccccc1
Show InChI InChI=1S/C27H24F2N4O2/c1-31-26(35)33(24(34)16-27(31)13-7-6-10-23-20(27)17-30-32(23)2)25-21(28)14-19(15-22(25)29)12-11-18-8-4-3-5-9-18/h3-5,8-9,14-15,17H,6-7,10,13,16H2,1-2H3/t27-/m0/s1
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n/an/an/an/a 34n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504285
PNG
((8S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CCN1C(=O)N(C(=O)C[C@]11CCCc2ccncc12)c1c(F)cc(cc1F)C#Cc1ccccc1
Show InChI InChI=1S/C28H23F2N3O2/c1-2-32-27(35)33(25(34)17-28(32)13-6-9-21-12-14-31-18-22(21)28)26-23(29)15-20(16-24(26)30)11-10-19-7-4-3-5-8-19/h3-5,7-8,12,14-16,18H,2,6,9,13,17H2,1H3/t28-/m0/s1
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n/an/an/an/a 114n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504289
PNG
((4S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCCCc2[nH]ncc12)c1c(F)cc(cc1F)C#Cc1ccccc1
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n/an/an/an/a 54n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504211
PNG
((8S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCCc2ccncc12)c1c(F)cc(cc1F)C#Cc1ccccc1
Show InChI InChI=1S/C27H21F2N3O2/c1-31-26(34)32(24(33)16-27(31)12-5-8-20-11-13-30-17-21(20)27)25-22(28)14-19(15-23(25)29)10-9-18-6-3-2-4-7-18/h2-4,6-7,11,13-15,17H,5,8,12,16H2,1H3/t27-/m0/s1
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n/an/an/an/a 58n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504273
PNG
((5S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCc2ncccc12)c1c(F)cc(cc1F)C#Cc1ccccc1
Show InChI InChI=1S/C26H19F2N3O2/c1-30-25(33)31(23(32)16-26(30)12-11-22-19(26)8-5-13-29-22)24-20(27)14-18(15-21(24)28)10-9-17-6-3-2-4-7-17/h2-8,13-15H,11-12,16H2,1H3/t26-/m0/s1
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n/an/an/an/a 94n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504279
PNG
((5S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCCc2ncccc12)c1c(F)cc(cc1F)C#Cc1ccccc1
Show InChI InChI=1S/C27H21F2N3O2/c1-31-26(34)32(24(33)17-27(31)13-5-10-23-20(27)9-6-14-30-23)25-21(28)15-19(16-22(25)29)12-11-18-7-3-2-4-8-18/h2-4,6-9,14-16H,5,10,13,17H2,1H3/t27-/m0/s1
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n/an/an/an/a 76n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504291
PNG
((4S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCCCc2nn(C)cc12)c1c(F)cc(cc1F)C#Cc1ccccc1
Show InChI InChI=1S/C27H24F2N4O2/c1-31-17-20-23(30-31)10-6-7-13-27(20)16-24(34)33(26(35)32(27)2)25-21(28)14-19(15-22(25)29)12-11-18-8-4-3-5-9-18/h3-5,8-9,14-15,17H,6-7,10,13,16H2,1-2H3/t27-/m0/s1
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n/an/an/an/a 39n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504281
PNG
((5S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCCc2ncncc12)c1c(F)cc(cc1F)C#Cc1ccccc1
Show InChI InChI=1S/C26H20F2N4O2/c1-31-25(34)32(23(33)14-26(31)11-5-8-22-19(26)15-29-16-30-22)24-20(27)12-18(13-21(24)28)10-9-17-6-3-2-4-7-17/h2-4,6-7,12-13,15-16H,5,8,11,14H2,1H3/t26-/m0/s1
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n/an/an/an/a 65n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504284
PNG
((6S)-3-[2,6-Difluoro-4-[2-(3-pyridyl)ethynyl]pheny...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11COCc2ccccc12)c1c(F)cc(cc1F)C#Cc1cccnc1
Show InChI InChI=1S/C26H19F2N3O3/c1-30-25(33)31(23(32)13-26(30)16-34-15-19-6-2-3-7-20(19)26)24-21(27)11-18(12-22(24)28)9-8-17-5-4-10-29-14-17/h2-7,10-12,14H,13,15-16H2,1H3/t26-/m1/s1
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n/an/an/an/a 43n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504288
PNG
((4S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCCc2c1ccn2C)c1c(F)cc(cc1F)C#Cc1ccccc1
Show InChI InChI=1S/C27H23F2N3O2/c1-30-14-12-20-23(30)9-6-13-27(20)17-24(33)32(26(34)31(27)2)25-21(28)15-19(16-22(25)29)11-10-18-7-4-3-5-8-18/h3-5,7-8,12,14-16H,6,9,13,17H2,1-2H3/t27-/m0/s1
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n/an/an/an/a 75n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504243
PNG
((6S)-3-[2,6-Difluoro-4-[2-(3-pyridyl)ethynyl]pheny...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCCc2ccccc12)c1c(F)cc(cc1F)C#Cc1cccnc1
Show InChI InChI=1S/C27H21F2N3O2/c1-31-26(34)32(24(33)16-27(31)12-4-8-20-7-2-3-9-21(20)27)25-22(28)14-19(15-23(25)29)11-10-18-6-5-13-30-17-18/h2-3,5-7,9,13-15,17H,4,8,12,16H2,1H3/t27-/m0/s1
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n/an/an/an/a 52n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504255
PNG
((6S)-3-[2,6-Difluoro-4-[2-(3-pyridyl)ethynyl]pheny...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCc2ccccc12)c1c(F)cc(cc1F)C#Cc1cccnc1
Show InChI InChI=1S/C26H19F2N3O2/c1-30-25(33)31(23(32)15-26(30)11-10-19-6-2-3-7-20(19)26)24-21(27)13-18(14-22(24)28)9-8-17-5-4-12-29-16-17/h2-7,12-14,16H,10-11,15H2,1H3/t26-/m0/s1
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n/an/an/an/a 61n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504280
PNG
((5S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCCc2cnccc12)c1c(F)cc(cc1F)C#Cc1ccccc1
Show InChI InChI=1S/C27H21F2N3O2/c1-31-26(34)32(24(33)16-27(31)12-5-8-20-17-30-13-11-21(20)27)25-22(28)14-19(15-23(25)29)10-9-18-6-3-2-4-7-18/h2-4,6-7,11,13-15,17H,5,8,12,16H2,1H3/t27-/m0/s1
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n/an/an/an/a 65n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504286
PNG
((4S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCCc2[nH]ncc12)c1c(F)cc(cc1F)C#Cc1ccccc1
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n/an/an/an/a 51n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM504283
PNG
((4S)-3′-[2,6-Difluoro-4-(2-phenylethynyl)phe...)
Show SMILES CN1C(=O)N(C(=O)C[C@]11CCOc2ncccc12)c1c(F)cc(cc1F)C#Cc1ccccc1
Show InChI InChI=1S/C26H19F2N3O3/c1-30-25(33)31(22(32)16-26(30)11-13-34-24-19(26)8-5-12-29-24)23-20(27)14-18(15-21(23)28)10-9-17-6-3-2-4-7-17/h2-8,12,14-15H,11,13,16H2,1H3/t26-/m0/s1
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n/an/an/an/a 51n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu4 receptor was generated; for the work with mGlu4 Positive A...


US Patent US11034699 (2021)

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