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Compile Data Set for Download or QSAR

Found 2845 hits with Last Name = 'fyfe' and Initial = 'mc'   
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
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))
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))
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
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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50n/an/an/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent




US Patent US10214477 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254603
PNG
(US10214477, Example 5 | US9469597, 4 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
Show InChI InChI=1S/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+/m0/s1
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50n/an/an/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent




US Patent US10214477 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254603
PNG
(US10214477, Example 5 | US9469597, 4 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1 |wU:10.12,wD:8.8,(11.17,-2.23,;9.76,-2.86,;8.52,-1.95,;7.11,-2.58,;6.95,-4.11,;8.19,-5.02,;9.6,-4.39,;5.54,-4.74,;4.21,-3.97,;2.67,-3.97,;3.44,-2.64,;3.44,-1.1,;2.1,-.33,;2.1,1.21,;3.44,1.98,;4.77,1.21,;4.77,-.33,)|
Show InChI InChI=1S/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+/m0/s1
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50n/an/an/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent




US Patent US10214477 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM356626
PNG
(US10214477, Example 12)
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50n/an/an/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent




US Patent US10214477 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254556
PNG
(US10214477, Example 15 | US9469597, 15 | US9670136...)
Show SMILES N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.18,wD:13.14,1.0,(7.15,4.37,;6.38,3.04,;7.29,1.79,;6.38,.54,;4.92,1.02,;4.92,2.56,;3.59,.25,;3.59,-1.29,;2.25,-2.06,;.92,-1.29,;.92,.25,;2.25,1.02,;-.41,-2.06,;-1.75,-1.29,;-2.52,.04,;-3.29,-1.29,;-4.62,-2.06,;-4.62,-3.6,;-5.96,-4.37,;-7.29,-3.6,;-7.29,-2.06,;-5.96,-1.29,)|
Show InChI InChI=1/C19H29N3/c20-15-10-11-22(13-15)17-8-6-16(7-9-17)21-19-12-18(19)14-4-2-1-3-5-14/h1-5,15-19,21H,6-13,20H2/t15-,16?,17?,18-,19+/s2
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50n/an/an/an/an/an/an/an/a



Oryzon Genomics S.A.

US Patent




US Patent US10214477 (2019)

More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261742
PNG
(US9708309, 2)
Show SMILES Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 |r|
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50n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, S.A.

US Patent




US Patent US9708309 (2017)


BindingDB Entry DOI: 10.7270/Q2736SXQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339419
PNG
(US10202330, Example 10)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3ccc(Cl)cc3)c2c1 |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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM339420
PNG
(US10202330, Example 11)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3cccc(OC)c3)c2c1 |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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179652
PNG
(US9676701, 23 5-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(F)c(O)c1 |r|
Show InChI InChI=1/C14H13FN2O/c15-11-3-1-8(5-14(11)18)13-4-2-9(7-17-13)10-6-12(10)16/h1-5,7,10,12,18H,6,16H2/t10-,12+/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))
BDBM179653
PNG
(US9676701, 24 3-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(F)c1 |r|
Show InChI InChI=1/C14H13FN2O/c15-10-3-9(4-11(18)5-10)14-2-1-8(7-17-14)12-6-13(12)16/h1-5,7,12-13,18H,6,16H2/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))
BDBM179654
PNG
(US9676701, 25 3-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)ccc1F |r|
Show InChI InChI=1/C14H13FN2O/c15-12-3-2-9(18)5-11(12)14-4-1-8(7-17-14)10-6-13(10)16/h1-5,7,10,13,18H,6,16H2/t10-,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))
BDBM179670
PNG
(US9676701, 29 3-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cc(O)cc(Cl)c1 |r|
Show InChI InChI=1/C14H13ClN2O/c15-10-3-9(4-11(18)5-10)14-2-1-8(7-17-14)12-6-13(12)16/h1-5,7,12-13,18H,6,16H2/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))
BDBM179672
PNG
(US9676701, 31 (trans)-2-(6-(5-chlorothiophen-2-yl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(Cl)s1 |r|
Show InChI InChI=1/C12H11ClN2S/c13-12-4-3-11(16-12)10-2-1-7(6-15-10)8-5-9(8)14/h1-4,6,8-9H,5,14H2/t8-,9+/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))
BDBM179724
PNG
(US9676701, 46 5-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES Cc1ccc(cc1O)-c1ccc(cn1)[C@H]1C[C@@H]1N |r|
Show InChI InChI=1/C15H16N2O/c1-9-2-3-10(6-15(9)18)14-5-4-11(8-17-14)12-7-13(12)16/h2-6,8,12-13,18H,7,16H2,1H3/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))
BDBM261741
PNG
(US9708309, 1)
Show SMILES Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cn1 |r|
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50n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, S.A.

US Patent




US Patent US9708309 (2017)


BindingDB Entry DOI: 10.7270/Q2736SXQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179446
PNG
(US9676701, 4 4′-((trans)-2-aminocyclopropyl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(O)c1 |r|
Show InChI InChI=1/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+/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] B


(Homo sapiens (Human))
BDBM179461
PNG
(US9676701, 9 (trans)-2-(6-(4-(trifluoromethyl)phen...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccc(cc1)C(F)(F)F |r|
Show InChI InChI=1/C15H13F3N2/c16-15(17,18)11-4-1-9(2-5-11)14-6-3-10(8-20-14)12-7-13(12)19/h1-6,8,12-13H,7,19H2/t12-,13+/s2
PDB

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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))
BDBM179641
PNG
(US9676701, 13 3-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1CC1c1ccc(nc1)-c1cccc(c1)C#N |r|
Show InChI InChI=1/C15H13N3/c16-8-10-2-1-3-11(6-10)15-5-4-12(9-18-15)13-7-14(13)17/h1-6,9,13-14H,7,17H2/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))
BDBM179646
PNG
(US9676701, 17 3-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(O)c1 |r|
Show InChI InChI=1/C14H14N2O/c15-13-7-12(13)10-4-5-14(16-8-10)9-2-1-3-11(17)6-9/h1-6,8,12-13,17H,7,15H2/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))
BDBM179649
PNG
(US9676701, 20 2-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1ccccc1O |r|
Show InChI InChI=1/C14H14N2O/c15-12-7-11(12)9-5-6-13(16-8-9)10-3-1-2-4-14(10)17/h1-6,8,11-12,17H,7,15H2/t11-,12+/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))
BDBM179646
PNG
(US9676701, 17 3-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(O)c1 |r|
Show InChI InChI=1/C14H14N2O/c15-13-7-12(13)10-4-5-14(16-8-10)9-2-1-3-11(17)6-9/h1-6,8,12-13,17H,7,15H2/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))
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
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
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254553
PNG
(US9469597, 12 | US9670136, 12 4-(((trans)-2-(6-(3-...)
Show SMILES NC(=O)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:12.14,wD:10.10,(8.88,3.85,;7.54,4.62,;7.54,6.16,;6.21,3.85,;6.21,2.31,;4.87,1.54,;3.54,2.31,;3.54,3.85,;4.87,4.62,;2.21,1.54,;.87,2.31,;.1,3.64,;-.67,2.31,;-2,1.54,;-3.33,2.31,;-4.67,1.54,;-4.67,,;-3.33,-.77,;-2,,;-6,-.77,;-7.34,,;-8.67,-.77,;-8.67,-2.31,;-7.34,-3.14,;-6,-2.31,;-7.34,-4.68,;-7.34,-6.22,;-8.88,-4.68,;-5.8,-4.68,)|
Show InChI InChI=1/C22H24F3N3O/c23-22(24,25)16-3-1-2-14(10-16)19-9-6-15(12-27-19)18-11-20(18)28-17-7-4-13(5-8-17)21(26)29/h1-3,6,9-10,12-13,17-18,20,28H,4-5,7-8,11H2,(H2,26,29)/t13?,17?,18-,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 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))
BDBM254556
PNG
(US10214477, Example 15 | US9469597, 15 | US9670136...)
Show SMILES N[C@@H]1CCN(C1)C1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |r,wU:15.18,wD:13.14,1.0,(7.15,4.37,;6.38,3.04,;7.29,1.79,;6.38,.54,;4.92,1.02,;4.92,2.56,;3.59,.25,;3.59,-1.29,;2.25,-2.06,;.92,-1.29,;.92,.25,;2.25,1.02,;-.41,-2.06,;-1.75,-1.29,;-2.52,.04,;-3.29,-1.29,;-4.62,-2.06,;-4.62,-3.6,;-5.96,-4.37,;-7.29,-3.6,;-7.29,-2.06,;-5.96,-1.29,)|
Show InChI InChI=1/C19H29N3/c20-15-10-11-22(13-15)17-8-6-16(7-9-17)21-19-12-18(19)14-4-2-1-3-5-14/h1-5,15-19,21H,6-13,20H2/t15-,16?,17?,18-,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 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))
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))
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
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