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Patent code US10584111

Compile Data Set for Download or QSAR
Found 25 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
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113468
PNG
(CHEMBL3603915 | US10246432, Example 15 | US1058411...)
Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H
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MMDB

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US Patent
0.501n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113476
PNG
(CHEMBL3603923 | US10246432, Example 17 | US1058411...)
Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C16H8ClFN4/c17-12-4-10(7-19)3-11(5-12)15-6-16(22-9-21-15)14-2-1-13(18)8-20-14/h1-6,8-9H
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0.537n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113477
PNG
(CHEMBL3603924 | US10246432, Example 3 | US10584111...)
Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-c1ccc(cn1)C#N)C#N
Show InChI InChI=1S/C17H8ClN5/c18-14-4-12(8-20)3-13(5-14)16-6-17(23-10-22-16)15-2-1-11(7-19)9-21-15/h1-6,9-10H
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0.692n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113468
PNG
(CHEMBL3603915 | US10246432, Example 15 | US1058411...)
Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C14H7ClFN5/c15-11-5-9(7-17)4-10(14(11)16)12-6-13(19-8-18-12)21-3-1-2-20-21/h1-6,8H
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0.832n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113479
PNG
(CHEMBL3603926 | US10246432, Example 22 | US1058411...)
Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(cc(Cl)c1F)C#N
Show InChI InChI=1S/C16H7ClF2N4/c17-12-4-9(6-20)3-11(16(12)19)14-5-15(23-8-22-14)13-2-1-10(18)7-21-13/h1-5,7-8H
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0.891n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113473
PNG
(CHEMBL3603920 | US10246432, Example 1 | US10584111...)
Show SMILES Fc1c(Cl)cc(cc1-c1cc(ncn1)-c1ccccn1)C#N
Show InChI InChI=1S/C16H8ClFN4/c17-12-6-10(8-19)5-11(16(12)18)14-7-15(22-9-21-14)13-3-1-2-4-20-13/h1-7,9H
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1.23n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113475
PNG
(CHEMBL3603922 | US10246432, Example 18 | US1058411...)
Show SMILES Fc1ccc(nc1)-c1cc(ncn1)-c1cc(cc(c1)C#N)C#N
Show InChI InChI=1S/C17H8FN5/c18-14-1-2-15(21-9-14)17-6-16(22-10-23-17)13-4-11(7-19)3-12(5-13)8-20/h1-6,9-10H
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1.66n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113478
PNG
(CHEMBL3603925 | US10246432, Example 20 | US1058411...)
Show SMILES Clc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C16H8Cl2N4/c17-12-1-2-14(20-8-12)16-6-15(21-9-22-16)11-3-10(7-19)4-13(18)5-11/h1-6,8-9H
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1.70n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372982
PNG
(3-methyl-5-[6-(5- | US10246432, Example 23 | US105...)
Show SMILES Cc1ccc(nc1)-c1cc(ncn1)-c1cc(C)cc(c1)C#N
Show InChI InChI=1S/C18H14N4/c1-12-3-4-16(20-10-12)18-8-17(21-11-22-18)15-6-13(2)5-14(7-15)9-19/h3-8,10-11H,1-2H3
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2.14n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113474
PNG
(CHEMBL3603921 | US10246432, Example 19 | US1058411...)
Show SMILES Cc1ccc(nc1)-c1cc(ncn1)-c1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C17H11ClN4/c1-11-2-3-15(20-9-11)17-7-16(21-10-22-17)13-4-12(8-19)5-14(18)6-13/h2-7,9-10H,1H3
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2.45n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372983
PNG
(3-[6-(5-fluoropyridin-2- | US10246432, Example 24 ...)
Show SMILES COCc1cc(cc(c1)-c1cc(ncn1)-c1ccc(F)cn1)C#N
Show InChI InChI=1S/C18H13FN4O/c1-24-10-13-4-12(8-20)5-14(6-13)17-7-18(23-11-22-17)16-3-2-15(19)9-21-16/h2-7,9,11H,10H2,1H3
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2.69n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113467
PNG
(CHEMBL3603914 | US10246432, Example 14 | US1058411...)
Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H
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2.75n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372963
PNG
(3-methyl-5-[6-(pyridin- | US10246432, Example 4 | ...)
Show SMILES Cc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N
Show InChI InChI=1S/C17H12N4/c1-12-6-13(10-18)8-14(7-12)16-9-17(21-11-20-16)15-4-2-3-5-19-15/h2-9,11H,1H3
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2.75n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113472
PNG
(CHEMBL3603919 | US10246432, Example 2 | US10584111...)
Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N
Show InChI InChI=1S/C16H9ClN4/c17-13-6-11(9-18)5-12(7-13)15-8-16(21-10-20-15)14-3-1-2-4-19-14/h1-8,10H
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3.02n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113467
PNG
(CHEMBL3603914 | US10246432, Example 14 | US1058411...)
Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C14H8ClN5/c15-12-5-10(8-16)4-11(6-12)13-7-14(18-9-17-13)20-3-1-2-19-20/h1-7,9H
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3.98n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113466
PNG
(CHEMBL3603913 | US10246432, Example 13 | US1058411...)
Show SMILES Cc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C15H11N5/c1-11-5-12(9-16)7-13(6-11)14-8-15(18-10-17-14)20-4-2-3-19-20/h2-8,10H,1H3
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4.07n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372984
PNG
(3-[6-(5-fluoropyridin-2- | US10246432, Example 25 ...)
Show SMILES COc1cc(cc(c1)-c1cc(ncn1)-c1ccc(F)cn1)C#N
Show InChI InChI=1S/C17H11FN4O/c1-23-14-5-11(8-19)4-12(6-14)16-7-17(22-10-21-16)15-3-2-13(18)9-20-15/h2-7,9-10H,1H3
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4.27n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372969
PNG
(3-chloro-4-fluoro-5-[4- | US10246432, Example 10 |...)
Show SMILES Fc1c(Cl)cc(cc1-c1cc(ccn1)-n1cccn1)C#N
Show InChI InChI=1S/C15H8ClFN4/c16-13-7-10(9-18)6-12(15(13)17)14-8-11(2-4-19-14)21-5-1-3-20-21/h1-8H
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4.27n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372965
PNG
(3-(4,4′-bipyrimidin-6-yl)-5-chlorobenzonitri...)
Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-c1ccncn1)C#N
Show InChI InChI=1S/C15H8ClN5/c16-12-4-10(7-17)3-11(5-12)14-6-15(21-9-20-14)13-1-2-18-8-19-13/h1-6,8-9H
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5.37n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113466
PNG
(CHEMBL3603913 | US10246432, Example 13 | US1058411...)
Show SMILES Cc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C15H11N5/c1-11-5-12(9-16)7-13(6-11)14-8-15(18-10-17-14)20-4-2-3-19-20/h2-8,10H,1H3
PDB
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5.75n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372975
PNG
(3-(fluoromethyl)-5-[6- | US10246432, Example 16 | ...)
Show SMILES FCc1cc(cc(c1)-c1cc(ncn1)-n1cccn1)C#N
Show InChI InChI=1S/C15H10FN5/c16-8-11-4-12(9-17)6-13(5-11)14-7-15(19-10-18-14)21-3-1-2-20-21/h1-7,10H,8H2
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6.76n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372970
PNG
(3-chloro-4-fluoro-5-[2- | US10246432, Example 11 |...)
Show SMILES Fc1c(Cl)cc(cc1-c1ccnc(c1)-n1cccn1)C#N
Show InChI InChI=1S/C15H8ClFN4/c16-13-7-10(9-18)6-12(15(13)17)11-2-4-19-14(8-11)21-5-1-3-20-21/h1-8H
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US Patent
6.92n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113480
PNG
(CHEMBL3603927 | US10246432, Example 5 | US10584111...)
Show SMILES Clc1cc(cc(c1)-c1cc(ncn1)-c1cccnn1)C#N
Show InChI InChI=1S/C15H8ClN5/c16-12-5-10(8-17)4-11(6-12)14-7-15(19-9-18-14)13-2-1-3-20-21-13/h1-7,9H
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US Patent
9.77n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372971
PNG
(3-chloro-4-fluoro-5-[6- | US10246432, Example 12 |...)
Show SMILES Fc1cnn(c1)-c1cc(ncn1)-c1cc(cc(Cl)c1F)C#N
Show InChI InChI=1S/C14H6ClF2N5/c15-11-2-8(4-18)1-10(14(11)17)12-3-13(20-7-19-12)22-6-9(16)5-21-22/h1-3,5-7H
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10n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
D(2) dopamine receptor/Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372980
PNG
(5-[6-(pyridin-2- | US10246432, Example 21 | US1058...)
Show SMILES N#Cc1cc(cc(c1)-c1cc(ncn1)-c1ccccn1)C#N
Show InChI InChI=1S/C17H9N5/c18-9-12-5-13(10-19)7-14(6-12)16-8-17(22-11-21-16)15-3-1-2-4-20-15/h1-8,11H
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10.5n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Membrane PreparationcDNA encoding the human mGlu5 receptor was transfected into HEK293 cells using the transfection reagent Genejuice (Novagen). Fort...


US Patent US10584111 (2020)


BindingDB Entry DOI: 10.7270/Q2BR8VK9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%