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Compile Data Set for Download or QSAR

Found 841 hits with Last Name = 'kurz' and Initial = 'g'   
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))
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))
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
GST-Lysine Specific Demethylase-1 (LSD1)


(Homo sapiens (Human))
BDBM50155773
PNG
(CHEMBL3781751 | US9469597, 5)
Show SMILES [H][C@@]1(CC[C@H](N)CC1)N[C@@H]1C[C@H]1c1ccccc1 |r,wU:9.9,wD:11.13,4.4,1.0,(-4.65,6.17,;-4.67,5.14,;-4.65,3.62,;-5.99,2.87,;-7.32,3.66,;-8.39,3.05,;-7.3,5.2,;-5.95,5.95,;-3.34,4.36,;-3.36,2.83,;-4.13,1.49,;-2.67,1.54,;-1.33,.77,;,1.54,;1.33,.77,;1.33,-.77,;,-1.54,;-1.33,-.77,)|
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 -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 US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
GST-Lysine Specific Demethylase-1 (LSD1)


(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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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 US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
GST-Lysine Specific Demethylase-1 (LSD1)


(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 -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 US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
GST-Lysine Specific Demethylase-1 (LSD1)


(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 -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 US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
GST-Lysine Specific Demethylase-1 (LSD1)


(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 -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 US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
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))
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))
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))
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))
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))
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))
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
Class A beta-lactamase BlaC (BlaC)


(Mycobacterium tuberculosis H37Rv)
BDBM152733
PNG
(Penem 2)
Show SMILES [O-]C(=O)C1=CSC2N1C(=O)\C2=C\c1cc2CCSCn2n1 |t:3|
Show InChI InChI=1/C13H11N3O3S2/c17-11-9(12-16(11)10(5-21-12)13(18)19)4-7-3-8-1-2-20-6-15(8)14-7/h3-5,12H,1-2,6H2,(H,18,19)/p-1/b9-4-
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200n/an/an/an/an/an/a7.2n/a



Indian Institute of Technology



Assay Description
Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in sodium phosphate buffer (50 mM, pH 7.2) and a 1 cm pathlengt...


Biochemistry 54: 5657-64 (2015)


Article DOI: 10.1021/acs.biochem.5b00698
BindingDB Entry DOI: 10.7270/Q29W0D7G
More data for this
Ligand-Target Pair
GST-Lysine Specific Demethylase-1 (LSD1)


(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 -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 US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
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
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
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))
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
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))
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
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 Demethylase-1 (LSD1)


(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 -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 US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
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
GST-Lysine Specific Demethylase-1 (LSD1)


(Homo sapiens (Human))
BDBM254601
PNG
(US9469597, 2)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |wU:8.8,wD:10.12,(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+/m1/s1
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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 US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
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))
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
GST-Lysine Specific Demethylase-1 (LSD1)


(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 -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 US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
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 Demethylase-1 (LSD1)


(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 -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 US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
GST-Lysine Specific Demethylase-1 (LSD1)


(Homo sapiens (Human))
BDBM254602
PNG
(US9469597, 3)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccccc1 |wU:8.8,wD:10.12,(5.54,-10.9,;5.54,-9.36,;6.87,-8.59,;6.87,-7.05,;5.54,-6.28,;4.21,-7.05,;4.21,-8.59,;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+/m1/s1
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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 US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
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
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
Multidrug resistance protein 1/Multidrug resistance associated protein 1


(Homo sapiens (Human))
BDBM50001285
PNG
((E)-3-((3-(2-(7-chloroquinolin-2-yl)vinyl)phenyl)(...)
Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+
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600n/an/an/an/an/an/an/an/a



Deutsches Krebsforschungszentrum

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of LTC4 uptake in membrane vesicle from MRP1-expressing HeLa cells


Cancer Res 56: 988-94 (1996)


BindingDB Entry DOI: 10.7270/Q2Q81FCK
More data for this
Ligand-Target Pair
Class A beta-lactamase BlaC (BlaC)


(Mycobacterium tuberculosis H37Rv)
BDBM152732
PNG
(Penem 1)
Show SMILES [O-]C(=O)C1=CSC2N1C(=O)\C2=C\c1cc2CSCn2n1 |t:3|
Show InChI InChI=1/C12H9N3O3S2/c16-10-8(11-15(10)9(4-20-11)12(17)18)2-6-1-7-3-19-5-14(7)13-6/h1-2,4,11H,3,5H2,(H,17,18)/p-1/b8-2-
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800n/an/an/an/an/an/a7.2n/a



Indian Institute of Technology



Assay Description
Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in sodium phosphate buffer (50 mM, pH 7.2) and a 1 cm pathlengt...


Biochemistry 54: 5657-64 (2015)


Article DOI: 10.1021/acs.biochem.5b00698
BindingDB Entry DOI: 10.7270/Q29W0D7G
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))
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))
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
Class A beta-lactamase BlaC (BlaC)


(Mycobacterium tuberculosis H37Rv)
BDBM50021959
PNG
(CHEMBL777 | MM 14151 | US9120808, Clavulanic acid ...)
Show SMILES OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O |r|
Show InChI InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1
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6.30E+3n/an/an/an/an/an/a7.2n/a



Indian Institute of Technology



Assay Description
Steady state kinetics were performed on an Agilent 8453 diode array spectrophotometer in sodium phosphate buffer (50 mM, pH 7.2) and a 1 cm pathlengt...


Biochemistry 54: 5657-64 (2015)


Article DOI: 10.1021/acs.biochem.5b00698
BindingDB Entry DOI: 10.7270/Q29W0D7G
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(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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US Patent
2.00E+4 -27.9n/an/an/an/an/a7.537



Oryzon Genomics S.A.

US Patent


Assay Description
In order to monitor MAO enzymatic activities and/or their inhibition rate by inhibitor(s) of interest, a fluorescence-based (inhibitor)-screening ass...


US Patent US9469597 (2016)


BindingDB Entry DOI: 10.7270/Q2ZW1JVG
More data for this
Ligand-Target Pair
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