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Compile Data Set for Download or QSAR

Found 2839 hits Enz. Inhib. hit(s) with Target = 'lsd1'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM?mit=repeat
Kd
nM
EC50/IC50
nM?mit=repeat
koff
s-1
kon
M-1s-1
pHTemp
°C
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM179689
PNG
(US9676701, 38 (trans)-2-(6-(4-fluoro-3-methoxyphen...)
Show SMILES COc1cc(ccc1F)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H15FN2O/c1-19-15-6-9(2-4-12(15)16)14-5-3-10(8-18-14)11-7-13(11)17/h2-6,8,11,13H,7,17H2,1H3/t11-,13+/m1/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 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))
BDBM179690
PNG
(US9676701, 39 (trans)-2-(6-(3-fluoro-5-methoxyphen...)
Show SMILES COc1cc(F)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H15FN2O/c1-19-12-5-10(4-11(16)6-12)15-3-2-9(8-18-15)13-7-14(13)17/h2-6,8,13-14H,7,17H2,1H3/t13-,14+/m1/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 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))
BDBM179691
PNG
(US9676701, 40 (trans)-2-(6-(2-fluoro-5-methoxyphen...)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H15FN2O/c1-19-10-3-4-13(16)12(6-10)15-5-2-9(8-18-15)11-7-14(11)17/h2-6,8,11,14H,7,17H2,1H3/t11-,14+/m1/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 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))
BDBM179695
PNG
(US9676701, 41 (trans)-2-(6-(2-fluoro-3-methoxyphen...)
Show SMILES COc1cccc(c1F)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H15FN2O/c1-19-14-4-2-3-10(15(14)16)13-6-5-9(8-18-13)11-7-12(11)17/h2-6,8,11-12H,7,17H2,1H3/t11-,12+/m1/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 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))
BDBM179707
PNG
(US9676701, 42 (trans)-2-(6-(3-chloro-5-methoxyphen...)
Show SMILES COc1cc(Cl)cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H15ClN2O/c1-19-12-5-10(4-11(16)6-12)15-3-2-9(8-18-15)13-7-14(13)17/h2-6,8,13-14H,7,17H2,1H3/t13-,14+/m1/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 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))
BDBM179717
PNG
(US9676701, 43 (trans)-2-(6-(2-chloro-5-methoxyphen...)
Show SMILES COc1ccc(Cl)c(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H15ClN2O/c1-19-10-3-4-13(16)12(6-10)15-5-2-9(8-18-15)11-7-14(11)17/h2-6,8,11,14H,7,17H2,1H3/t11-,14+/m1/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 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))
BDBM179720
PNG
(US9676701, 44 (trans)-2-(6-(3-methoxy-5-(trifluoro...)
Show SMILES COc1cc(cc(c1)C(F)(F)F)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C16H15F3N2O/c1-22-12-5-10(4-11(6-12)16(17,18)19)15-3-2-9(8-21-15)13-7-14(13)20/h2-6,8,13-14H,7,20H2,1H3/t13-,14+/m1/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 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))
BDBM179723
PNG
(US9676701, 45 3-(5-((trans)-2-aminocyclopropyl)pyr...)
Show SMILES COc1cc(cc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N)C#N
Show InChI InChI=1S/C16H15N3O/c1-20-13-5-10(8-17)4-12(6-13)16-3-2-11(9-19-16)14-7-15(14)18/h2-6,9,14-15H,7,18H2,1H3/t14-,15+/m1/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 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))
BDBM339410
PNG
(US10202330, Example 1)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C26H27NO2/c1-28-22-13-9-20-10-14-25(23(20)15-22)27-26-16-24(26)19-7-11-21(12-8-19)29-17-18-5-3-2-4-6-18/h2-9,11-13,15,24-27H,10,14,16-17H2,1H3/t24?,25?,26-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339411
PNG
(US10202330, Example 2)
Show SMILES COc1cc2CCC(N[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2cc1OC
Show InChI InChI=1S/C27H29NO3/c1-29-26-14-20-10-13-24(23(20)16-27(26)30-2)28-25-15-22(25)19-8-11-21(12-9-19)31-17-18-6-4-3-5-7-18/h3-9,11-12,14,16,22,24-25,28H,10,13,15,17H2,1-2H3/t22?,24?,25-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339412
PNG
(US10202330, Example 3)
Show SMILES COc1ccc2C(CCc2c1OC)N[C@H]1CC1c1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C27H29NO3/c1-29-26-15-13-21-22(27(26)30-2)12-14-24(21)28-25-16-23(25)19-8-10-20(11-9-19)31-17-18-6-4-3-5-7-18/h3-11,13,15,23-25,28H,12,14,16-17H2,1-2H3/t23?,24?,25-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339413
PNG
(US10202330, Example 4)
Show SMILES C1[C@H](NC2CCc3ccccc23)C1c1ccccc1
Show InChI InChI=1S/C18H19N/c1-2-6-13(7-3-1)16-12-18(16)19-17-11-10-14-8-4-5-9-15(14)17/h1-9,16-19H,10-12H2/t16?,17?,18-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339414
PNG
(US10202330, Example 5)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1
Show InChI InChI=1S/C19H21NO/c1-21-15-9-7-14-8-10-18(16(14)11-15)20-19-12-17(19)13-5-3-2-4-6-13/h2-7,9,11,17-20H,8,10,12H2,1H3/t17?,18?,19-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339415
PNG
(US10202330, Example 6)
Show SMILES Clc1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1
Show InChI InChI=1S/C18H18ClN/c19-14-8-6-13-7-9-17(15(13)10-14)20-18-11-16(18)12-4-2-1-3-5-12/h1-6,8,10,16-18,20H,7,9,11H2/t16?,17?,18-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339416
PNG
(US10202330, Example 7)
Show SMILES FC(F)(F)c1ccc2CCC(N[C@H]3CC3c3ccccc3)c2c1
Show InChI InChI=1S/C19H18F3N/c20-19(21,22)14-8-6-13-7-9-17(15(13)10-14)23-18-11-16(18)12-4-2-1-3-5-12/h1-6,8,10,16-18,23H,7,9,11H2/t16?,17?,18-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339417
PNG
(US10202330, Example 8)
Show SMILES COc1ccc2CCCC(N[C@H]3CC3c3ccccc3)c2c1
Show InChI InChI=1S/C20H23NO/c1-22-16-11-10-15-8-5-9-19(17(15)12-16)21-20-13-18(20)14-6-3-2-4-7-14/h2-4,6-7,10-12,18-21H,5,8-9,13H2,1H3/t18?,19?,20-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339418
PNG
(US10202330, Example 9)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(cc3)-c3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C25H24ClNO/c1-28-21-11-9-18-10-12-24(22(18)14-21)27-25-15-23(25)17-7-5-16(6-8-17)19-3-2-4-20(26)13-19/h2-9,11,13-14,23-25,27H,10,12,15H2,1H3/t23?,24?,25-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339421
PNG
(US10202330, Example 12)
Show SMILES C(CC1CCCCC1)N[C@H]1CC1c1ccccc1
Show InChI InChI=1S/C17H25N/c1-3-7-14(8-4-1)11-12-18-17-13-16(17)15-9-5-2-6-10-15/h2,5-6,9-10,14,16-18H,1,3-4,7-8,11-13H2/t16?,17-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339422
PNG
(US10202330, Example 13)
Show SMILES C(CN[C@H]1CC1c1ccccc1)CC1CCCCC1
Show InChI InChI=1S/C18H27N/c1-3-8-15(9-4-1)10-7-13-19-18-14-17(18)16-11-5-2-6-12-16/h2,5-6,11-12,15,17-19H,1,3-4,7-10,13-14H2/t17?,18-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339423
PNG
(US10202330, Example 14)
Show SMILES C(CC1CCCCCC1)N[C@H]1CC1c1ccccc1
Show InChI InChI=1S/C18H27N/c1-2-5-9-15(8-4-1)12-13-19-18-14-17(18)16-10-6-3-7-11-16/h3,6-7,10-11,15,17-19H,1-2,4-5,8-9,12-14H2/t17?,18-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339424
PNG
(US10202330, Example 15)
Show SMILES Brc1cccc(COc2ccc(cc2)C2C[C@@H]2NCCC2CCCCC2)c1
Show InChI InChI=1S/C24H30BrNO/c25-21-8-4-7-19(15-21)17-27-22-11-9-20(10-12-22)23-16-24(23)26-14-13-18-5-2-1-3-6-18/h4,7-12,15,18,23-24,26H,1-3,5-6,13-14,16-17H2/t23?,24-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339425
PNG
(US10202330, Example 16)
Show SMILES COc1ccc2CCC(N[C@H]3CC3c3ccc(OCc4cccc(Br)c4)cc3)c2c1
Show InChI InChI=1S/C26H26BrNO2/c1-29-22-11-7-19-8-12-25(23(19)14-22)28-26-15-24(26)18-5-9-21(10-6-18)30-16-17-3-2-4-20(27)13-17/h2-7,9-11,13-14,24-26,28H,8,12,15-16H2,1H3/t24?,25?,26-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM339427
PNG
(US10202330, Example 20)
Show SMILES COc1ccc2CCCC(CCN[C@H]3CC3c3ccc(OCc4ccccc4)cc3)c2c1
Show InChI InChI=1S/C29H33NO2/c1-31-26-15-12-22-8-5-9-23(27(22)18-26)16-17-30-29-19-28(29)24-10-13-25(14-11-24)32-20-21-6-3-2-4-7-21/h2-4,6-7,10-15,18,23,28-30H,5,8-9,16-17,19-20H2,1H3/t23?,28?,29-/m0/s1
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550n/an/an/an/an/an/an/an/a



ORYZON GENOMICS, SA

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 US10202330 (2019)

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


(Homo sapiens (Human))
BDBM179846
PNG
(US9676701, 80 (trans)-2-(2-methyl-6-(3-(trifluorom...)
Show SMILES Cc1nc(ccc1[C@H]1C[C@@H]1N)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H15F3N2/c1-9-12(13-8-14(13)20)5-6-15(21-9)10-3-2-4-11(7-10)16(17,18)19/h2-7,13-14H,8,20H2,1H3/t13-,14+/m1/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 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))
BDBM179853
PNG
(US9676701, 87 4′-((trans)-2-aminocyclopropyl...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1cc(ccc1O)C#N
Show InChI InChI=1S/C16H14N2O/c17-9-10-1-6-16(19)14(7-10)12-4-2-11(3-5-12)13-8-15(13)18/h1-7,13,15,19H,8,18H2/t13-,15+/m1/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 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))
BDBM179859
PNG
(US9676701, 93 N-(3-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES COc1ccc(NS(C)(=O)=O)cc1-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C16H19N3O3S/c1-22-16-6-4-11(19-23(2,20)21)7-13(16)15-5-3-10(9-18-15)12-8-14(12)17/h3-7,9,12,14,19H,8,17H2,1-2H3/t12-,14+/m1/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 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))
BDBM179863
PNG
(US9676701, 97 N-(5-(5-((trans)-2-aminocyclopropyl)...)
Show SMILES CS(=O)(=O)Nc1cc(ccc1F)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H16FN3O2S/c1-22(20,21)19-15-6-9(2-4-12(15)16)14-5-3-10(8-18-14)11-7-13(11)17/h2-6,8,11,13,19H,7,17H2,1H3/t11-,13+/m1/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 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))
BDBM179934
PNG
(US9676701, 103 N-(4′-((trans)-2-aminocyclopr...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(NS(=O)(=O)C(F)(F)F)c1
Show InChI InChI=1S/C16H15F3N2O2S/c17-16(18,19)24(22,23)21-13-3-1-2-12(8-13)10-4-6-11(7-5-10)14-9-15(14)20/h1-8,14-15,21H,9,20H2/t14-,15+/m1/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 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))
BDBM179935
PNG
(US9676701, 104 4′−((trans)-2-aminocycl...)
Show SMILES CNS(=O)(=O)c1cccc(c1)-c1ccc(cn1)[C@H]1C[C@@H]1N
Show InChI InChI=1S/C15H17N3O2S/c1-17-21(19,20)12-4-2-3-10(7-12)15-6-5-11(9-18-15)13-8-14(13)16/h2-7,9,13-14,17H,8,16H2,1H3/t13-,14+/m1/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 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))
BDBM179936
PNG
(US9676701, 105 4′-((trans)-2-aminocyclopropy...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccccc1O
Show InChI InChI=1S/C15H15NO/c16-14-9-13(14)11-7-5-10(6-8-11)12-3-1-2-4-15(12)17/h1-8,13-14,17H,9,16H2/t13-,14+/m1/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 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))
BDBM179944
PNG
(US9676701, 106 4′-((trans)-2-aminocyclopropy...)
Show SMILES COc1cc(ccc1[C@H]1C[C@@H]1N)-c1cccc(O)c1
Show InChI InChI=1S/C16H17NO2/c1-19-16-8-11(10-3-2-4-12(18)7-10)5-6-13(16)14-9-15(14)17/h2-8,14-15,18H,9,17H2,1H3/t14-,15+/m1/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 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
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
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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
(US9469597, 4 | US9670136, 3 (trans)-N1-((1S,2R)-2-...)
Show SMILES NC1CCC(CC1)N[C@@H]1C[C@H]1c1ccccc1
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))
BDBM254549
PNG
(US9469597, 8 | US9670136, 8 N1-((trans)-2-(6-(3-(t...)
Show SMILES NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/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+/m1/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))
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
Show InChI InChI=1S/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+/m1/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))
BDBM254554
PNG
(US9469597, 13 | US9670136, 13 N-(4-(((trans)-2-(6-...)
Show SMILES CC(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/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+/m1/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))
BDBM254555
PNG
(US9469597, 14 | US9670136, 14 N-(4-(((trans)-2-(6-...)
Show SMILES CS(=O)(=O)NC1CCC(CC1)N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/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+/m1/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))
BDBM179443
PNG
(US9676701, 1 (trans)-2-(3′-(trifluoromethyl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C16H14F3N/c17-16(18,19)13-3-1-2-12(8-13)10-4-6-11(7-5-10)14-9-15(14)20/h1-8,14-15H,9,20H2/t14-,15+/m1/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 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))
BDBM179444
PNG
(US9676701, 2 (trans)-2-(terphenyl-4-yl)cyclopropan...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C21H19N/c22-21-14-20(21)19-12-10-18(11-13-19)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-13,20-21H,14,22H2/t20-,21+/m1/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 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))
BDBM179445
PNG
(US9676701, 3 4′-((trans)-2-aminocyclopropyl)...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C15H15NO/c16-15-9-14(15)12-3-1-10(2-4-12)11-5-7-13(17)8-6-11/h1-8,14-15,17H,9,16H2/t14-,15+/m1/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 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))
BDBM179451
PNG
(US9676701, 5 (trans)-2-(6-(3-(trifluoromethyl)phen...)
Show SMILES N[C@H]1C[C@@H]1c1ccc(nc1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2/c16-15(17,18)11-3-1-2-9(6-11)14-5-4-10(8-20-14)12-7-13(12)19/h1-6,8,12-13H,7,19H2/t12-,13+/m1/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 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))
BDBM50142235
PNG
(CHEMBL3758821)
Show SMILES Fc1ccc(cc1F)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H21F2N3O/c25-22-6-5-19(11-23(22)26)24-21(18-3-1-16(13-27)2-4-18)12-20(14-29-24)30-15-17-7-9-28-10-8-17/h1-6,11-12,14,17,28H,7-10,15H2
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570n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01361
BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50396014
PNG
(CHEMBL2169888)
Show SMILES N[C@@H]1C[C@H]1c1cc(F)cc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2/t12-,15+/m0/s1
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610n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of LSD1


Eur J Med Chem 56: 179-194 (2012)


Article DOI: 10.1016/j.ejmech.2012.08.010
BindingDB Entry DOI: 10.7270/Q2TQ62NX
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346585
PNG
(CHEMBL1795980 | S2101)
Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2
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610n/an/an/an/an/an/an/an/a



Kyoto Prefectural University of Medicine

Curated by ChEMBL


Assay Description
Inhibition of LSD1


J Med Chem 54: 8236-50 (2011)


Article DOI: 10.1021/jm201048w
BindingDB Entry DOI: 10.7270/Q2D50NFR
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346585
PNG
(CHEMBL1795980 | S2101)
Show SMILES NC1CC1c1cc(F)cc(F)c1OCc1ccccc1
Show InChI InChI=1S/C16H15F2NO/c17-11-6-13(12-8-15(12)19)16(14(18)7-11)20-9-10-4-2-1-3-5-10/h1-7,12,15H,8-9,19H2
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610n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of LSD1


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142243
PNG
(CHEMBL3758340)
Show SMILES Cc1ccc(cc1)-c1ncc(OCC2CCCNC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N3O/c1-18-4-8-22(9-5-18)25-24(21-10-6-19(14-26)7-11-21)13-23(16-28-25)29-17-20-3-2-12-27-15-20/h4-11,13,16,20,27H,2-3,12,15,17H2,1H3
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650n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01361
BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50346872
PNG
(CHEMBL1797651)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCNC\C=C\Cl)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C97H175ClN36O28/c1-49(2)45-66(87(154)119-53(6)94(161)162)129-84(151)64(31-33-69(103)139)125-79(146)58(24-11-15-37-100)123-82(149)62(28-19-42-113-96(107)108)127-89(156)68-30-21-44-134(68)93(160)52(5)118-78(145)57(23-10-14-36-99)120-72(142)47-115-71(141)46-116-90(157)73(54(7)136)131-88(155)67(48-135)130-83(150)59(25-12-16-38-101)124-81(148)61(27-18-41-112-95(105)106)122-77(144)51(4)117-91(158)74(55(8)137)132-86(153)65(32-34-70(104)140)126-80(147)60(26-13-17-39-111-40-22-35-98)128-92(159)75(56(9)138)133-85(152)63(121-76(143)50(3)102)29-20-43-114-97(109)110/h22,35,49-68,73-75,111,135-138H,10-21,23-34,36-48,99-102H2,1-9H3,(H2,103,139)(H2,104,140)(H,115,141)(H,116,157)(H,117,158)(H,118,145)(H,119,154)(H,120,142)(H,121,143)(H,122,144)(H,123,149)(H,124,148)(H,125,146)(H,126,147)(H,127,156)(H,128,159)(H,129,151)(H,130,150)(H,131,155)(H,132,153)(H,133,152)(H,161,162)(H4,105,106,112)(H4,107,108,113)(H4,109,110,114)/b35-22+/t50-,51-,52-,53-,54+,55+,56+,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,73-,74-,75-/m0/s1
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700n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of LSD1


Bioorg Med Chem 19: 3625-36 (2011)


Article DOI: 10.1016/j.bmc.2011.01.046
BindingDB Entry DOI: 10.7270/Q23X870S
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142185
PNG
(CHEMBL3759654)
Show SMILES COc1ccc(cc1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N3O2/c1-29-22-8-6-21(7-9-22)25-24(20-4-2-18(15-26)3-5-20)14-23(16-28-25)30-17-19-10-12-27-13-11-19/h2-9,14,16,19,27H,10-13,17H2,1H3
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740n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01361
BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50142239
PNG
(CHEMBL3760120)
Show SMILES Cc1cccc(c1)-c1ncc(OCC2CCNCC2)cc1-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N3O/c1-18-3-2-4-22(13-18)25-24(21-7-5-19(15-26)6-8-21)14-23(16-28-25)29-17-20-9-11-27-12-10-20/h2-8,13-14,16,20,27H,9-12,17H2,1H3
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800n/an/an/an/an/an/an/an/a



Baylor College of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 ...


J Med Chem 59: 253-63 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01361
BindingDB Entry DOI: 10.7270/Q23J3FSW
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM113751
PNG
({3-[4-(Benxyloxy)phenyl]propyl}hydrazine dihydroch...)
Show SMILES NNCCCc1ccc(OCc2ccccc2)cc1
Show InChI InChI=1S/C16H20N2O/c17-18-12-4-7-14-8-10-16(11-9-14)19-13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18H,4,7,12-13,17H2
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900n/an/an/an/an/an/a7.5n/a



Johns Hopkins University School of Medicine , Baltimore, Maryland 21205, United States



Assay Description
Reactions (100 µL) were initiated by the addition of 2 µL of GST-LSD1 (final concentration 96-154 nM). The reaction mixture contained 50 mM...


ACS Chem Biol 9: 1284-93 (2014)


Article DOI: 10.1021/cb500018s
BindingDB Entry DOI: 10.7270/Q2FN14VF
More data for this
Ligand-Target Pair
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