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Compile Data Set for Download or QSAR

Found 1066 hits with Last Name = 'laria' and Initial = 'jc'   
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
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128311
PNG
(US8796284, 93)
Show SMILES Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1
Show InChI InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)
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1 -51.4n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128297
PNG
(US8796284, 4)
Show SMILES Nc1nc(nc(NC2CCCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C12H15BrN6/c13-9-10(14)17-12(19-7-3-6-15-19)18-11(9)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H3,14,16,17,18)
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6 -46.9n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128307
PNG
(US8796284, 38)
Show SMILES CC(C)Sc1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C10H12BrN5S/c1-6(2)17-9-7(11)8(12)14-10(15-9)16-5-3-4-13-16/h3-6H,1-2H3,(H2,12,14,15)
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7 -46.5n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128310
PNG
(US8796284, 48)
Show SMILES Nc1nc(nc(c1C#N)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C11H8N8/c12-7-8-9(13)16-11(19-6-2-4-15-19)17-10(8)18-5-1-3-14-18/h1-6H,(H2,13,16,17)
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7 -46.5n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128306
PNG
(US8796284, 36)
Show SMILES CCSc1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C9H10BrN5S/c1-2-16-8-6(10)7(11)13-9(14-8)15-5-3-4-12-15/h3-5H,2H2,1H3,(H2,11,13,14)
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8 -46.2n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101261
PNG
(US8524717, 16)
Show SMILES N[C@H]1CCN(C1)C(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C15H21N3O/c16-12-6-7-18(10-12)15(19)9-17-14-8-13(14)11-4-2-1-3-5-11/h1-5,12-14,17H,6-10,16H2/t12-,13+,14-/m0/s1
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9n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101302
PNG
(CHEMBL3108900 | US8524717, 57)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(F)ccc1C(F)(F)F |r|
Show InChI InChI=1S/C23H25F4N3O/c1-29-8-10-30(11-9-29)22(31)14-28-21-13-19(21)16-4-2-15(3-5-16)18-12-17(24)6-7-20(18)23(25,26)27/h2-7,12,19,21,28H,8-11,13-14H2,1H3/t19-,21+/m1/s1
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9n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128305
PNG
(US8796284, 29)
Show SMILES Nc1nc(nc(NCC2CC2)c1Br)-n1cccn1
Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-5-1-4-15-18)17-10(8)14-6-7-2-3-7/h1,4-5,7H,2-3,6H2,(H3,13,14,16,17)
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10 -45.7n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128296
PNG
(US8796284, 3)
Show SMILES Nc1nc(nc(N2CCCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)15-11(18-7-3-4-14-18)16-10(8)17-5-1-2-6-17/h3-4,7H,1-2,5-6H2,(H2,13,15,16)
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11 -45.4n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128295
PNG
(US8796284, 1)
Show SMILES Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
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12 -45.2n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128311
PNG
(US8796284, 93)
Show SMILES Nc1nc(nc(-c2nccs2)c1Br)-c1nccs1
Show InChI InChI=1S/C10H6BrN5S2/c11-5-6(9-13-1-3-17-9)15-8(16-7(5)12)10-14-2-4-18-10/h1-4H,(H2,12,15,16)
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12 -47.0n/an/an/an/an/an/a37



Palobiofarma, S.L.

US Patent


Assay Description
hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128303
PNG
(US8796284, 20)
Show SMILES COC[C@H]1CCCN1c1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C13H17BrN6O/c1-21-8-9-4-2-6-19(9)12-10(14)11(15)17-13(18-12)20-7-3-5-16-20/h3,5,7,9H,2,4,6,8H2,1H3,(H2,15,17,18)/t9-/m1/s1
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14 -44.8n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128298
PNG
(US8796284, 5)
Show SMILES Nc1nc(nc(N2CCCCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C12H15BrN6/c13-9-10(14)16-12(19-8-4-5-15-19)17-11(9)18-6-2-1-3-7-18/h4-5,8H,1-3,6-7H2,(H2,14,16,17)
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14 -44.8n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128308
PNG
(US8796284, 44)
Show SMILES Nc1nc(nc(OCC(F)(F)F)c1Br)-n1cccn1
Show InChI InChI=1S/C9H7BrF3N5O/c10-5-6(14)16-8(18-3-1-2-15-18)17-7(5)19-4-9(11,12)13/h1-3H,4H2,(H2,14,16,17)
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14 -44.8n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101276
PNG
(US8524717, 31)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C23H28ClN3O2/c1-26-10-12-27(13-11-26)23(28)15-25-22-14-21(22)18-4-8-20(9-5-18)29-16-17-2-6-19(24)7-3-17/h2-9,21-22,25H,10-16H2,1H3/t21-,22+/m1/s1
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15n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128304
PNG
(US8796284, 24)
Show SMILES CNc1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C8H9BrN6/c1-11-7-5(9)6(10)13-8(14-7)15-4-2-3-12-15/h2-4H,1H3,(H3,10,11,13,14)
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16 -44.5n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128309
PNG
(US8796284, 46)
Show SMILES Nc1nc(nc(c1Cl)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C10H8ClN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
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17 -44.3n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101278
PNG
(US8524717, 33)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(cc2)[N+]#[C-])cc1 |r|
Show InChI InChI=1S/C24H28N4O2/c1-25-20-7-3-18(4-8-20)17-30-21-9-5-19(6-10-21)22-15-23(22)26-16-24(29)28-13-11-27(2)12-14-28/h3-10,22-23,26H,11-17H2,2H3/t22-,23+/m1/s1
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17n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101305
PNG
(US8524717, 60)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)C1CC1 |r|
Show InChI InChI=1S/C19H27N3O/c1-21-8-10-22(11-9-21)19(23)13-20-18-12-17(18)16-6-4-15(5-7-16)14-2-3-14/h4-7,14,17-18,20H,2-3,8-13H2,1H3/t17-,18+/m1/s1
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18n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128299
PNG
(US8796284, 8)
Show SMILES Nc1nc(nc(NC2CC2)c1Br)-n1cccn1
Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)15-10(17-5-1-4-13-17)16-9(7)14-6-2-3-6/h1,4-6H,2-3H2,(H3,12,14,15,16)
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18 -44.2n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101273
PNG
(US8524717, 28)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(F)c2)cc1 |r|
Show InChI InChI=1S/C23H28FN3O2/c1-26-9-11-27(12-10-26)23(28)15-25-22-14-21(22)18-5-7-20(8-6-18)29-16-17-3-2-4-19(24)13-17/h2-8,13,21-22,25H,9-12,14-16H2,1H3/t21-,22+/m1/s1
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18n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128301
PNG
(US8796284, 10)
Show SMILES Nc1nc(nc(NC2CCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C11H13BrN6/c12-8-9(13)16-11(18-6-2-5-14-18)17-10(8)15-7-3-1-4-7/h2,5-7H,1,3-4H2,(H3,13,15,16,17)
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21 -43.8n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101300
PNG
(US8524717, 55)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(Cl)c1 |r|
Show InChI InChI=1S/C22H26ClN3O/c1-25-9-11-26(12-10-25)22(27)15-24-21-14-20(21)17-7-5-16(6-8-17)18-3-2-4-19(23)13-18/h2-8,13,20-21,24H,9-12,14-15H2,1H3/t20-,21+/m1/s1
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21n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101274
PNG
(US8524717, 29)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C23H28FN3O2/c1-26-10-12-27(13-11-26)23(28)15-25-22-14-21(22)18-4-8-20(9-5-18)29-16-17-2-6-19(24)7-3-17/h2-9,21-22,25H,10-16H2,1H3/t21-,22+/m1/s1
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22n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101289
PNG
(US8524717, 44)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H29N3O3S/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-5-3-17(4-6-19)18-7-9-20(10-8-18)30(2,28)29/h3-10,21-22,24H,11-16H2,1-2H3/t21-,22+/m1/s1
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24n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101291
PNG
(US8524717, 46)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1F |r|
Show InChI InChI=1S/C22H25F2N3O/c1-26-8-10-27(11-9-26)22(28)14-25-21-13-19(21)16-4-2-15(3-5-16)18-7-6-17(23)12-20(18)24/h2-7,12,19,21,25H,8-11,13-14H2,1H3/t19-,21+/m1/s1
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24n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128295
PNG
(US8796284, 1)
Show SMILES Nc1nc(nc(c1Br)-n1cccn1)-n1cccn1
Show InChI InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
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25 -45.1n/an/an/an/an/an/a37



Palobiofarma, S.L.

US Patent


Assay Description
hese assays were performed at adenosine receptors transfected using a cAMP enzymeimmunoassay kit (Amersham Biosciences). CHO-A2A cells were seeded (1...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101277
PNG
(US8524717, 32)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Br)c2)cc1 |r|
Show InChI InChI=1S/C23H28BrN3O2/c1-26-9-11-27(12-10-26)23(28)15-25-22-14-21(22)18-5-7-20(8-6-18)29-16-17-3-2-4-19(24)13-17/h2-8,13,21-22,25H,9-12,14-16H2,1H3/t21-,22+/m1/s1
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25n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101283
PNG
(US8524717, 38)
Show SMILES COc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C23H29N3O2/c1-25-10-12-26(13-11-25)23(27)16-24-22-15-21(22)18-8-6-17(7-9-18)19-4-3-5-20(14-19)28-2/h3-9,14,21-22,24H,10-13,15-16H2,1-2H3/t21-,22+/m1/s1
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25n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101304
PNG
(US8524717, 59)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(CCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C24H31N3O/c1-26-13-15-27(16-14-26)24(28)18-25-23-17-22(23)21-11-9-20(10-12-21)8-7-19-5-3-2-4-6-19/h2-6,9-12,22-23,25H,7-8,13-18H2,1H3/t22-,23+/m1/s1
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25n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101285
PNG
(US8524717, 40)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C#N |r|
Show InChI InChI=1S/C23H26N4O/c1-26-9-11-27(12-10-26)23(28)16-25-22-14-21(22)19-7-5-18(6-8-19)20-4-2-3-17(13-20)15-24/h2-8,13,21-22,25H,9-12,14,16H2,1H3/t21-,22+/m1/s1
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26n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101290
PNG
(US8524717, 45)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1CC1c1ccc(cc1)-c1cc(Cl)cc(Cl)c1 |r|
Show InChI InChI=1S/C22H25Cl2N3O/c1-26-6-8-27(9-7-26)22(28)14-25-21-13-20(21)16-4-2-15(3-5-16)17-10-18(23)12-19(24)11-17/h2-5,10-12,20-21,25H,6-9,13-14H2,1H3/t20?,21-/m0/s1
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26n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101286
PNG
(US8524717, 41)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C23H26N4O/c1-26-10-12-27(13-11-26)23(28)16-25-22-14-21(22)20-8-6-19(7-9-20)18-4-2-17(15-24)3-5-18/h2-9,21-22,25H,10-14,16H2,1H3/t21-,22+/m1/s1
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27n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101293
PNG
(US8524717, 48)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1F |r|
Show InChI InChI=1S/C22H26FN3O/c1-25-10-12-26(13-11-25)22(27)15-24-21-14-19(21)17-8-6-16(7-9-17)18-4-2-3-5-20(18)23/h2-9,19,21,24H,10-15H2,1H3/t19-,21+/m1/s1
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29n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101284
PNG
(US8524717, 39)
Show SMILES COc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C23H29N3O2/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-5-3-17(4-6-19)18-7-9-20(28-2)10-8-18/h3-10,21-22,24H,11-16H2,1-2H3/t21-,22+/m1/s1
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30n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101271
PNG
(US8524717, 26)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 |r|
Show InChI InChI=1S/C23H29N3O2/c1-25-11-13-26(14-12-25)23(27)16-24-22-15-21(22)19-7-9-20(10-8-19)28-17-18-5-3-2-4-6-18/h2-10,21-22,24H,11-17H2,1H3/t21-,22+/m1/s1
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30n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128300
PNG
(US8796284, 9)
Show SMILES Nc1nc(nc(N2CCC2)c1Br)-n1cccn1
Show InChI InChI=1S/C10H11BrN6/c11-7-8(12)14-10(17-6-1-3-13-17)15-9(7)16-4-2-5-16/h1,3,6H,2,4-5H2,(H2,12,14,15)
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33 -42.7n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM128302
PNG
(US8796284, 13)
Show SMILES CN(C)c1nc(nc(N)c1Br)-n1cccn1
Show InChI InChI=1S/C9H11BrN6/c1-15(2)8-6(10)7(11)13-9(14-8)16-5-3-4-12-16/h3-5H,1-2H3,(H2,11,13,14)
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35 -42.6n/an/an/an/an/an/a25



Palobiofarma, S.L.

US Patent


Assay Description
Competition assays were carried out by incubation of membranes from hA1 receptors transfected to CHO cells, [3H]-DPCPX as radioligand, buffer (HEPES ...


US Patent US8796284 (2014)


BindingDB Entry DOI: 10.7270/Q2WM1C2Q
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101297
PNG
(US8524717, 52)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(F)c1 |r|
Show InChI InChI=1S/C22H26FN3O/c1-25-9-11-26(12-10-25)22(27)15-24-21-14-20(21)17-7-5-16(6-8-17)18-3-2-4-19(23)13-18/h2-8,13,20-21,24H,9-12,14-15H2,1H3/t20-,21+/m1/s1
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40n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101257
PNG
(US8524717, 12)
Show SMILES CC(CN(C)C)NC(=O)CN[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1S/C16H25N3O/c1-12(11-19(2)3)18-16(20)10-17-15-9-14(15)13-7-5-4-6-8-13/h4-8,12,14-15,17H,9-11H2,1-3H3,(H,18,20)/t12?,14-,15+/m1/s1
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40n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101287
PNG
(US8524717, 42)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C22H26FN3O/c1-25-10-12-26(13-11-25)22(27)15-24-21-14-20(21)18-4-2-16(3-5-18)17-6-8-19(23)9-7-17/h2-9,20-21,24H,10-15H2,1H3/t20-,21+/m1/s1
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42n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101282
PNG
(US8524717, 37)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(cc1)-c1cccnc1 |r|
Show InChI InChI=1S/C21H26N4O/c1-24-9-11-25(12-10-24)21(26)15-23-20-13-19(20)17-6-4-16(5-7-17)18-3-2-8-22-14-18/h2-8,14,19-20,23H,9-13,15H2,1H3/t19-,20+/m1/s1
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43n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101303
PNG
(US8524717, 58)
Show SMILES COc1ncccc1-c1ccc(cc1)[C@H]1C[C@@H]1NCC(=O)N1CCN(C)CC1 |r|
Show InChI InChI=1S/C22H28N4O2/c1-25-10-12-26(13-11-25)21(27)15-24-20-14-19(20)17-7-5-16(6-8-17)18-4-3-9-23-22(18)28-2/h3-9,19-20,24H,10-15H2,1-2H3/t19-,20+/m1/s1
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47n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM101275
PNG
(US8524717, 30)
Show SMILES CN1CCN(CC1)C(=O)CN[C@H]1C[C@@H]1c1ccc(OCc2cccc(Cl)c2)cc1 |r|
Show InChI InChI=1S/C23H28ClN3O2/c1-26-9-11-27(12-10-26)23(28)15-25-22-14-21(22)18-5-7-20(8-6-18)29-16-17-3-2-4-19(24)13-17/h2-8,13,21-22,25H,9-12,14-16H2,1H3/t21-,22+/m1/s1
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47n/an/an/an/an/an/an/an/a



Oryzon Genomics, S.A.

US Patent


Assay Description
Biological assay using monoamine oxidase or LSD1.


US Patent US8524717 (2013)


BindingDB Entry DOI: 10.7270/Q26H4G1D
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM256459
PNG
(US9487512, 3)
Show SMILES C1[C@@H](NC2CCNCC2)[C@@H]1c1ccccc1 |r|
Show InChI InChI=1/C14H20N2/c1-2-4-11(5-3-1)13-10-14(13)16-12-6-8-15-9-7-12/h1-5,12-16H,6-10H2/t13-,14+/s2
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50 -43.3n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9487512 (2016)


BindingDB Entry DOI: 10.7270/Q2765D89
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM256460
PNG
(US9487512, 4)
Show SMILES C(Oc1ccc(cc1)[C@@H]1C[C@H]1NC1CCNCC1)c1ccccc1 |r|
Show InChI InChI=1/C21H26N2O/c1-2-4-16(5-3-1)15-24-19-8-6-17(7-9-19)20-14-21(20)23-18-10-12-22-13-11-18/h1-9,18,20-23H,10-15H2/t20-,21+/s2
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50 -43.3n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9487512 (2016)


BindingDB Entry DOI: 10.7270/Q2765D89
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM50142189
PNG
(CHEMBL3759239 | US9487512, 5)
Show SMILES C(N[C@H]1C[C@@H]1c1ccccc1)C1CCNCC1 |r|
Show InChI InChI=1/C15H22N2/c1-2-4-13(5-3-1)14-10-15(14)17-11-12-6-8-16-9-7-12/h1-5,12,14-17H,6-11H2/t14-,15+/s2
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50 -43.3n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9487512 (2016)


BindingDB Entry DOI: 10.7270/Q2765D89
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM256461
PNG
(US9487512, 6)
Show SMILES C(CC1CCNCC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1/C16H24N2/c1-2-4-14(5-3-1)15-12-16(15)18-11-8-13-6-9-17-10-7-13/h1-5,13,15-18H,6-12H2/t15-,16+/s2
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50 -43.3n/an/an/an/an/a7.437



Oryzon Genomics S.A.

US Patent


Assay Description
The compounds of the invention can be tested for their ability to inhibit LSD1. The ability of the compounds of the invention to inhibit LSD1 can be ...


US Patent US9487512 (2016)


BindingDB Entry DOI: 10.7270/Q2765D89
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM182862
PNG
(US9670136, 1 N1-((trans)-2-phenylcyclopropyl)cyclo...)
Show SMILES NC1CCC(CC1)NC1CC1c1ccccc1 |(6.09,2.69,;4.76,1.92,;4.76,.38,;3.43,-.39,;2.09,.38,;2.09,1.92,;3.43,2.7,;.76,-.39,;-.58,.38,;-1.35,1.72,;-2.12,.38,;-3.45,-.39,;-4.78,.38,;-6.12,-.39,;-6.12,-1.93,;-4.78,-2.7,;-3.45,-1.93,)|
Show InChI InChI=1/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2
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50 -41.7n/an/an/an/an/a7.425



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254546
PNG
(US10214477, Example 3 | US9469597, 1 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:10.12,wD:8.8,(6.06,2.69,;4.73,1.93,;4.73,.38,;3.4,-.38,;2.06,.38,;2.06,1.93,;3.4,2.69,;.73,-.38,;-.6,.38,;-1.37,1.72,;-2.14,.38,;-3.48,-.38,;-4.81,.38,;-6.14,-.38,;-6.14,-1.93,;-4.81,-2.69,;-3.48,-1.93,)|
Show InChI InChI=1/C15H22N2/c16-12-6-8-13(9-7-12)17-15-10-14(15)11-4-2-1-3-5-11/h1-5,12-15,17H,6-10,16H2/t12?,13?,14-,15+/s2
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50 -41.7n/an/an/an/an/a7.425



ORYZON GENOMICS S.A.

US Patent


Assay Description
Briefly, a fixed amount of LSD1 was incubated on ice for 15 minutes, in the absence and/or in the presence of at least eight 3-fold serial dilutions ...


US Patent US9670136 (2017)


BindingDB Entry DOI: 10.7270/Q2PN93SB
More data for this
Ligand-Target Pair
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