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Patent code US10246432

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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113468
PNG
(CHEMBL3603915 | US10246432, Example 15)
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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US Patent
0.501n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113476
PNG
(CHEMBL3603923 | US10246432, Example 17)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113477
PNG
(CHEMBL3603924 | US10246432, Example 3)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113468
PNG
(CHEMBL3603915 | US10246432, Example 15)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113479
PNG
(CHEMBL3603926 | US10246432, Example 22)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113473
PNG
(CHEMBL3603920 | US10246432, Example 1)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113475
PNG
(CHEMBL3603922 | US10246432, Example 18)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113478
PNG
(CHEMBL3603925 | US10246432, Example 20)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372982
PNG
(3-methyl-5-[6-(5- | US10246432, Example 23)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113474
PNG
(CHEMBL3603921 | US10246432, Example 19)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113467
PNG
(CHEMBL3603914 | US10246432, Example 14)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113472
PNG
(CHEMBL3603919 | US10246432, Example 2)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113467
PNG
(CHEMBL3603914 | US10246432, Example 14)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113466
PNG
(CHEMBL3603913 | US10246432, Example 13)
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113466
PNG
(CHEMBL3603913 | US10246432, Example 13)
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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5.75n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
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
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
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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6.92n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50113480
PNG
(CHEMBL3603927 | US10246432, Example 5)
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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9.77n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
10n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM372980
PNG
(5-[6-(pyridin-2- | US10246432, Example 21)
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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
10.5n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
After thawing, membrane homogenates were re-suspended in the binding buffer (50 mM HEPES pH 7.5, 150 mM NaCl) to a final assay concentration of 2.5 &...


US Patent US10246432 (2019)

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