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Compile Data Set for Download or QSAR

Found 603 hits with Last Name = 'estiarte martinez' and Initial = 'm'   
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
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))
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))
BDBM356626
PNG
(US10214477, Example 12)
PDB
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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))
BDBM261741
PNG
(US10233178, Example 1 | 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



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM369812
PNG
(5-(((trans)-2-(4-(benzyloxy)phenyl)cyclopropylamin...)
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50n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM256457
PNG
(US9487512, 1)
Show SMILES C1C(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))
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
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))
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))
BDBM261748
PNG
(US10233178, Example 15 | US9708309, 15)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(Cl)c3)cc2)o1 |r|
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300n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261743
PNG
(US10233178, Example 10 | US9708309, 10)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)o1 |r|
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300n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254549
PNG
(US10214477, Example 8 | US9469597, 8 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
Show InChI InChI=1/C21H24F3N3/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-26-19)18-11-20(18)27-17-7-5-16(25)6-8-17/h1-4,9-10,12,16-18,20,27H,5-8,11,25H2/t16?,17?,18-,20+/s2
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550n/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))
BDBM356625
PNG
(US10214477, Example 11)
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550n/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))
BDBM254554
PNG
(US10214477, Example 13 | US9469597, 13 | US9670136...)
Show SMILES CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)|
Show InChI InChI=1/C23H26F3N3O/c1-14(30)28-18-6-8-19(9-7-18)29-22-12-20(22)16-5-10-21(27-13-16)15-3-2-4-17(11-15)23(24,25)26/h2-5,10-11,13,18-20,22,29H,6-9,12H2,1H3,(H,28,30)/t18?,19?,20-,22+/s2
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550n/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))
BDBM254555
PNG
(US10214477, Example 14 | US9469597, 14 | US9670136...)
Show SMILES CS(=O)(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:14.16,wD:12.12,(9.54,3.69,;8.21,4.46,;9.3,5.55,;7.44,3.13,;6.87,5.23,;5.54,4.46,;5.54,2.92,;4.21,2.15,;2.87,2.92,;2.87,4.46,;4.21,5.23,;1.54,2.15,;.21,2.92,;-.56,4.25,;-1.33,2.92,;-2.67,2.15,;-4,2.92,;-5.33,2.15,;-5.33,.61,;-4,-.16,;-2.67,.61,;-6.67,-.16,;-8,.61,;-9.34,-.16,;-9.34,-1.7,;-8,-2.52,;-6.67,-1.7,;-8,-4.06,;-8,-5.6,;-9.54,-4.06,;-6.46,-4.06,)|
Show InChI InChI=1/C22H26F3N3O2S/c1-31(29,30)28-18-8-6-17(7-9-18)27-21-12-19(21)15-5-10-20(26-13-15)14-3-2-4-16(11-14)22(23,24)25/h2-5,10-11,13,17-19,21,27-28H,6-9,12H2,1H3/t17?,18?,19-,21+/s2
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550n/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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261741
PNG
(US10233178, Example 1 | US9708309, 1)
Show SMILES Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cn1 |r|
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550n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261743
PNG
(US10233178, Example 10 | US9708309, 10)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)o1 |r|
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550n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261744
PNG
(US10233178, Example 11 | US9708309, 11)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)o1 |r|
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550n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261744
PNG
(US10233178, Example 11 | US9708309, 11)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)o1 |r|
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550n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261745
PNG
(US10233178, Example 12 | US9708309, 12)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(F)c3)cc2)o1 |r|
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550n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261745
PNG
(US10233178, Example 12 | US9708309, 12)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(F)c3)cc2)o1 |r|
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550n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261746
PNG
(US10233178, Example 13 | US9708309, 13)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cc(F)cc(F)c3)cc2)o1 |r|
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550n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261746
PNG
(US10233178, Example 13 | US9708309, 13)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cc(F)cc(F)c3)cc2)o1 |r|
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550n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261747
PNG
(US10233178, Example 14 | US9708309, 14)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(Cl)cc3)cc2)o1 |r|
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550n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261747
PNG
(US10233178, Example 14 | US9708309, 14)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(Cl)cc3)cc2)o1 |r|
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550n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261748
PNG
(US10233178, Example 15 | US9708309, 15)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(Cl)c3)cc2)o1 |r|
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550n/an/an/an/an/an/an/an/a



Merck Serono





J Med Chem 51: 2227-2243 (2008)


Article DOI: 10.1021/jm701383e
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM254555
PNG
(US10214477, Example 14 | US9469597, 14 | US9670136...)
Show SMILES CS(=O)(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:14.16,wD:12.12,(9.54,3.69,;8.21,4.46,;9.3,5.55,;7.44,3.13,;6.87,5.23,;5.54,4.46,;5.54,2.92,;4.21,2.15,;2.87,2.92,;2.87,4.46,;4.21,5.23,;1.54,2.15,;.21,2.92,;-.56,4.25,;-1.33,2.92,;-2.67,2.15,;-4,2.92,;-5.33,2.15,;-5.33,.61,;-4,-.16,;-2.67,.61,;-6.67,-.16,;-8,.61,;-9.34,-.16,;-9.34,-1.7,;-8,-2.52,;-6.67,-1.7,;-8,-4.06,;-8,-5.6,;-9.54,-4.06,;-6.46,-4.06,)|
Show InChI InChI=1/C22H26F3N3O2S/c1-31(29,30)28-18-8-6-17(7-9-18)27-21-12-19(21)15-5-10-20(26-13-15)14-3-2-4-16(11-14)22(23,24)25/h2-5,10-11,13,17-19,21,27-28H,6-9,12H2,1H3/t17?,18?,19-,21+/s2
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550 -35.7n/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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550n/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))
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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550n/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))
BDBM254554
PNG
(US10214477, Example 13 | US9469597, 13 | US9670136...)
Show SMILES CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:13.15,wD:11.11,(9.54,5.39,;8.21,4.62,;8.21,3.08,;6.87,5.39,;5.54,4.62,;5.54,3.08,;4.21,2.31,;2.87,3.08,;2.87,4.62,;4.21,5.39,;1.54,2.31,;.21,3.08,;-.56,4.41,;-1.33,3.08,;-2.67,2.31,;-4,3.08,;-5.33,2.31,;-5.33,.77,;-4,,;-2.67,.77,;-6.67,,;-8,.77,;-9.34,,;-9.34,-1.54,;-8,-2.37,;-6.67,-1.54,;-8,-3.91,;-8,-5.45,;-9.54,-3.91,;-6.46,-3.91,)|
Show InChI InChI=1/C23H26F3N3O/c1-14(30)28-18-6-8-19(9-7-18)29-22-12-20(22)16-5-10-21(27-13-16)15-3-2-4-17(11-15)23(24,25)26/h2-5,10-11,13,18-20,22,29H,6-9,12H2,1H3,(H,28,30)/t18?,19?,20-,22+/s2
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550 -35.7n/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))
BDBM254552
PNG
(US9469597, 11 | US9670136, 11 4-(((trans)-2-(6-(3-...)
Show SMILES OC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.21,5.39,;6.87,4.62,;6.87,3.08,;5.54,2.31,;4.21,3.08,;4.21,4.62,;5.54,5.39,;2.87,2.31,;1.54,3.08,;.77,4.41,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-6.67,.77,;-8,,;-8,-1.54,;-6.67,-2.37,;-5.33,-1.54,;-6.67,-3.91,;-6.67,-5.45,;-8.21,-3.91,;-5.13,-3.91,)|
Show InChI InChI=1/C21H23F3N2O/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-25-19)18-11-20(18)26-16-5-7-17(27)8-6-16/h1-4,9-10,12,16-18,20,26-27H,5-8,11H2/t16?,17?,18-,20+/s2
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550 -35.7n/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))
BDBM254549
PNG
(US10214477, Example 8 | US9469597, 8 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
Show InChI InChI=1/C21H24F3N3/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-26-19)18-11-20(18)27-17-7-5-16(25)6-8-17/h1-4,9-10,12,16-18,20,27H,5-8,11,25H2/t16?,17?,18-,20+/s2
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550 -35.7n/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
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM256458
PNG
(US9487512, 2)
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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550 -37.2n/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))
BDBM256462
PNG
(US9487512, 7)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCOCC1 |r|
Show InChI InChI=1/C20H21F3N2O/c21-20(22,23)15-3-1-2-13(10-15)18-5-4-14(12-24-18)17-11-19(17)25-16-6-8-26-9-7-16/h1-5,10,12,16-17,19,25H,6-9,11H2/t17-,19+/s2
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550 -37.2n/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))
BDBM256464
PNG
(US9487512, 9)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@H]1NCCC1CCOCC1 |r|
Show InChI InChI=1/C22H26ClNO/c23-20-7-5-18(6-8-20)17-1-3-19(4-2-17)21-15-22(21)24-12-9-16-10-13-25-14-11-16/h1-8,16,21-22,24H,9-15H2/t21-,22+/s2
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550 -37.2n/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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550 -35.7n/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))
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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550 -35.7n/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
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM256463
PNG
(US9487512, 8)
Show SMILES C(CC1CCOCC1)N[C@H]1C[C@@H]1c1ccccc1 |r|
Show InChI InChI=1/C16H23NO/c1-2-4-14(5-3-1)15-12-16(15)17-9-6-13-7-10-18-11-8-13/h1-5,13,15-17H,6-12H2/t15-,16+/s2
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5.50E+3 -31.2n/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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256464
PNG
(US9487512, 9)
Show SMILES Clc1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@@H]1NCCC1CCOCC1 |r|
Show InChI InChI=1/C22H26ClNO/c23-20-7-5-18(6-8-20)17-1-3-19(4-2-17)21-15-22(21)24-12-9-16-10-13-25-14-11-16/h1-8,16,21-22,24H,9-15H2/t21-,22+/s2
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5.50E+3 -31.2n/an/an/an/an/a7.537



Oryzon Genomics S.A.

US Patent


Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


US Patent US9487512 (2016)


BindingDB Entry DOI: 10.7270/Q2765D89
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256462
PNG
(US9487512, 7)
Show SMILES FC(F)(F)c1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1NC1CCOCC1 |r|
Show InChI InChI=1/C20H21F3N2O/c21-20(22,23)15-3-1-2-13(10-15)18-5-4-14(12-24-18)17-11-19(17)25-16-6-8-26-9-7-16/h1-5,10,12,16-17,19,25H,6-9,11H2/t17-,19+/s2
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5.50E+3 -31.2n/an/an/an/an/a7.537



Oryzon Genomics S.A.

US Patent


Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


US Patent US9487512 (2016)


BindingDB Entry DOI: 10.7270/Q2765D89
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(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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5.50E+3 -31.2n/an/an/an/an/a7.537



Oryzon Genomics S.A.

US Patent


Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


US Patent US9487512 (2016)


BindingDB Entry DOI: 10.7270/Q2765D89
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM254549
PNG
(US10214477, Example 8 | US9469597, 8 | US9670136, ...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F |r,wU:10.12,wD:8.8,(8.17,4.84,;6.83,4.07,;6.83,2.53,;5.5,1.76,;4.17,2.53,;4.17,4.07,;5.5,4.84,;2.83,1.76,;1.5,2.53,;.73,3.87,;-.04,2.53,;-1.37,1.76,;-2.71,2.53,;-4.04,1.76,;-4.04,.22,;-2.71,-.55,;-1.37,.22,;-5.37,-.55,;-6.71,.22,;-8.04,-.55,;-8.04,-2.09,;-6.75,-2.94,;-5.37,-2.09,;-6.77,-4.48,;-6.79,-6.02,;-8.31,-4.46,;-5.23,-4.51,)|
Show InChI InChI=1/C21H24F3N3/c22-21(23,24)15-3-1-2-13(10-15)19-9-4-14(12-26-19)18-11-20(18)27-17-7-5-16(25)6-8-17/h1-4,9-10,12,16-18,20,27H,5-8,11,25H2/t16?,17?,18-,20+/s2
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2.05E+4n/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
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