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Compile Data Set for Download or QSAR

Found 543 hits with Last Name = 'castro-palomino laria' and Initial = 'j'   
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))
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))
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))
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
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))
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
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))
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
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
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
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
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))
BDBM339426
PNG
(US10202330, Example 18)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)C1C[C@@H]1NCCC1CCCCC1 |r|
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50n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

US Patent




US Patent US10202330 (2019)

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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50 -43.3n/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))
BDBM179729
PNG
(US9676701, 48 3-(5-((trans)-2-amninocyclopropyl)py...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(c1)C(F)(F)F |r|
Show InChI InChI=1/C15H13F3N2O/c16-15(17,18)10-3-9(4-11(21)5-10)14-2-1-8(7-20-14)12-6-13(12)19/h1-5,7,12-13,21H,6,19H2/t12-,13+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179740
PNG
(US9676701, 53 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1/C15H17N3O2S/c1-21(19,20)18-12-4-2-3-10(7-12)15-6-5-11(9-17-15)13-8-14(13)16/h2-7,9,13-14,18H,8,16H2,1H3/t13-,14+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179745
PNG
(US9676701, 56 5-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(s1)C#N |r|
Show InChI InChI=1/C13H11N3S/c14-6-9-2-4-13(17-9)12-3-1-8(7-16-12)10-5-11(10)15/h1-4,7,10-11H,5,15H2/t10-,11+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179823
PNG
(US9676701, 59 5-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)c(F)c(F)c1 |r|
Show InChI InChI=1/C14H12F2N2O/c15-10-3-8(4-13(19)14(10)16)12-2-1-7(6-18-12)9-5-11(9)17/h1-4,6,9,11,19H,5,17H2/t9-,11+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445349
PNG
(CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...)
Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1
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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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50445349
PNG
(CHEMBL3104261 | US9676701, 63 Enantiomers of 4R...)
Show SMILES N[C@@H]1C[C@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)11-6-4-10(5-7-11)12-2-1-3-13(17)8-12/h1-8,14-15,17H,9,16H2/t14-,15+/m0/s1
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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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179828
PNG
(US9676701, 64 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 |r|
Show InChI InChI=1/C20H19N3O2S/c21-19-12-18(19)15-9-10-20(22-13-15)14-5-4-6-16(11-14)23-26(24,25)17-7-2-1-3-8-17/h1-11,13,18-19,23H,12,21H2/t18-,19+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179829
PNG
(US9676701, 65 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1/C17H21N3O2S/c1-11(2)23(21,22)20-14-5-3-4-12(8-14)17-7-6-13(10-19-17)15-9-16(15)18/h3-8,10-11,15-16,20H,9,18H2,1-2H3/t15-,16+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179830
PNG
(US9676701, 66 4′-((trans)-2-aminocyclopropyl...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(F)c(O)c1 |r|
Show InChI InChI=1/C15H14FNO/c16-13-6-5-11(7-15(13)18)9-1-3-10(4-2-9)12-8-14(12)17/h1-7,12,14,18H,8,17H2/t12-,14+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179832
PNG
(US9676701, 67 4′-((trans)-2-aminocyclopropyl...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(O)cc(Cl)c1 |r|
Show InChI InChI=1/C15H14ClNO/c16-12-5-11(6-13(18)7-12)9-1-3-10(4-2-9)14-8-15(14)17/h1-7,14-15,18H,8,17H2/t14-,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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179833
PNG
(US9676701, 68 N-(4′-((trans)-2-aminocyclopro...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)c2ccccc2)c1 |r|
Show InChI InChI=1/C21H20N2O2S/c22-21-14-20(21)16-11-9-15(10-12-16)17-5-4-6-18(13-17)23-26(24,25)19-7-2-1-3-8-19/h1-13,20-21,23H,14,22H2/t20-,21+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50158875
PNG
(CHEMBL3787372 | US9676701, 69 N-(4′-((trans)...)
Show SMILES CC(C)S(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1/C18H22N2O2S/c1-12(2)23(21,22)20-16-5-3-4-15(10-16)13-6-8-14(9-7-13)17-11-18(17)19/h3-10,12,17-18,20H,11,19H2,1-2H3/t17-,18+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179835
PNG
(US9676701, 70 N-(4′-((trans)-2-aminocyclopro...)
Show SMILES CS(=O)(=O)Nc1cccc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1/C16H18N2O2S/c1-21(19,20)18-14-4-2-3-13(9-14)11-5-7-12(8-6-11)15-10-16(15)17/h2-9,15-16,18H,10,17H2,1H3/t15-,16+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179840
PNG
(US9676701, 75 N-(4′-((trans)-2-aminocyclopro...)
Show SMILES COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1/C17H20N2O3S/c1-22-17-8-7-13(19-23(2,20)21)9-15(17)12-5-3-11(4-6-12)14-10-16(14)18/h3-9,14,16,19H,10,18H2,1-2H3/t14-,16+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179854
PNG
(US9676701, 88 N-(4′-((trans)-2-aminocyclopro...)
Show SMILES CS(=O)(=O)Nc1ccc(O)c(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1/C16H18N2O3S/c1-22(20,21)18-12-6-7-16(19)14(8-12)11-4-2-10(3-5-11)13-9-15(13)17/h2-8,13,15,18-19H,9,17H2,1H3/t13-,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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179855
PNG
(US9676701, 89 3-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(ccc1O)C#N |r|
Show InChI InChI=1/C15H13N3O/c16-7-9-1-4-15(19)12(5-9)14-3-2-10(8-18-14)11-6-13(11)17/h1-5,8,11,13,19H,6,17H2/t11-,13+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179856
PNG
(US9676701, 90 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES CS(=O)(=O)Nc1ccc(O)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1/C15H17N3O3S/c1-22(20,21)18-10-3-5-15(19)12(6-10)14-4-2-9(8-17-14)11-7-13(11)16/h2-6,8,11,13,18-19H,7,16H2,1H3/t11-,13+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179860
PNG
(US9676701, 94 N-(4′-((trans)-2-aminocyclopro...)
Show SMILES CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1/C16H17ClN2O2S/c1-22(20,21)19-14-7-12(6-13(17)8-14)10-2-4-11(5-3-10)15-9-16(15)18/h2-8,15-16,19H,9,18H2,1H3/t15-,16+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179861
PNG
(US9676701, 95 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES CS(=O)(=O)Nc1cc(Cl)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1/C15H16ClN3O2S/c1-22(20,21)19-12-5-10(4-11(16)6-12)15-3-2-9(8-18-15)13-7-14(13)17/h2-6,8,13-14,19H,7,17H2,1H3/t13-,14+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179862
PNG
(US9676701, 96 N-(4′-((trans)-2-aminocyclopro...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1F)-c1ccc(cc1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1/C16H17FN2O2S/c1-22(20,21)19-16-8-12(6-7-14(16)17)10-2-4-11(5-3-10)13-9-15(13)18/h2-8,13,15,19H,9,18H2,1H3/t13-,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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179864
PNG
(US9676701, 98 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES CCS(=O)(=O)Nc1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1/C16H19N3O2S/c1-2-22(20,21)19-13-5-3-4-11(8-13)16-7-6-12(10-18-16)14-9-15(14)17/h3-8,10,14-15,19H,2,9,17H2,1H3/t14-,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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179865
PNG
(US9676701, 99 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccc(cc2)C#N)c1 |r|
Show InChI InChI=1/C21H18N4O2S/c22-12-14-4-7-18(8-5-14)28(26,27)25-17-3-1-2-15(10-17)21-9-6-16(13-24-21)19-11-20(19)23/h1-10,13,19-20,25H,11,23H2/t19-,20+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179905
PNG
(US9676701, 100 N-(3-(5-((trans)-2-aminocyclopropyl...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2cccc(c2)C#N)c1 |r|
Show InChI InChI=1/C21H18N4O2S/c22-12-14-3-1-6-18(9-14)28(26,27)25-17-5-2-4-15(10-17)21-8-7-16(13-24-21)19-11-20(19)23/h1-10,13,19-20,25H,11,23H2/t19-,20+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179906
PNG
(US9676701, 101 N-(3-(5-((trans)-2-aminocyclopropyl...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r|
Show InChI InChI=1/C21H18N4O2S/c22-12-15-4-1-2-7-21(15)28(26,27)25-17-6-3-5-14(10-17)20-9-8-16(13-24-20)18-11-19(18)23/h1-10,13,18-19,25H,11,23H2/t18-,19+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179933
PNG
(US9676701, 102 N-(3-(5-((trans)-2-aminocyclopropyl...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(NS(=O)(=O)c2ccc(cc2)C#N)cc(c1)C(F)(F)F |r|
Show InChI InChI=1/C22H17F3N4O2S/c23-22(24,25)16-7-15(21-6-3-14(12-28-21)19-10-20(19)27)8-17(9-16)29-32(30,31)18-4-1-13(11-26)2-5-18/h1-9,12,19-20,29H,10,27H2/t19-,20+/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179973
PNG
(US9676701, 113 3-(5-((trans)-2-aminocyclopropyl)th...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(s1)-c1cccc(O)c1 |r|
Show InChI InChI=1/C13H13NOS/c14-11-7-10(11)13-5-4-12(16-13)8-2-1-3-9(15)6-8/h1-6,10-11,15H,7,14H2/t10-,11-/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM179976
PNG
(US9676701, 116 3-(5-((trans)-2-aminocyclopropyl)th...)
Show SMILES N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1 |r|
Show InChI InChI=1/C12H12N2OS/c13-10-5-9(10)11-6-14-12(16-11)7-2-1-3-8(15)4-7/h1-4,6,9-10,15H,5,13H2/t9-,10-/s2
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50n/an/an/an/an/an/a7.5n/a



ORYZON GENOMICS, S.A.

US Patent


Assay Description
Assays were conducted in 96-well black plates with clear bottom (Corning) in a final volume of 100 μL. The assay buffer was 100 mM HEPES, pH 7.5...


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179976
PNG
(US9676701, 116 3-(5-((trans)-2-aminocyclopropyl)th...)
Show SMILES N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(O)c1 |r|
Show InChI InChI=1/C12H12N2OS/c13-10-5-9(10)11-6-14-12(16-11)7-2-1-3-8(15)4-7/h1-4,6,9-10,15H,5,13H2/t9-,10-/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179984
PNG
(US9676701, 124 N-(3-(5-((trans)-2-aminocyclopropyl...)
Show SMILES N[C@H]1C[C@@H]1c1cnc(s1)-c1cccc(NS(=O)(=O)c2ccccc2C#N)c1 |r|
Show InChI InChI=1/C19H16N4O2S2/c20-10-13-4-1-2-7-18(13)27(24,25)23-14-6-3-5-12(8-14)19-22-11-17(26-19)15-9-16(15)21/h1-8,11,15-16,23H,9,21H2/t15-,16-/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 various concentrations of inhibitor (e....


US Patent US9676701 (2017)


BindingDB Entry DOI: 10.7270/Q27P8WJN
More data for this
Ligand-Target Pair
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