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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 361.8
BDBM289877
Wt: 352.3
BDBM283231
Wt: 399.4
BDBM283128
Wt: 400.4
BDBM283199
Wt: 414.5
BDBM283220
Wt: 341.3
BDBM283223
Wt: 371.4
BDBM283227
Wt: 327.3
BDBM283331
Wt: 367.4
BDBM283332
Wt: 351.3
BDBM283333
Wt: 413.5
BDBM283339
Wt: 409.4
BDBM283340
Wt: 414.5
BDBM283341
Wt: 357.3
BDBM283345
Wt: 405.4
BDBM283281
Displayed 1 to 15 (of 119 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 61 hits in this display   
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))
BDBM283128
PNG
(4-(2-(4-aminopiperidin-1-yl)- 1-methyl-6-oxo-5-p-t...)
Show SMILES Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c1-16-3-7-18(8-4-16)21-22(19-9-5-17(15-25)6-10-19)27-24(28(2)23(21)30)29-13-11-20(26)12-14-29/h3-10,20H,11-14,26H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9771329 (2017)

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


(Homo sapiens (Human))
BDBM283220
PNG
(4-[2-(4-amino-piperidin-1-yl)-5-(6- ethyl-pyridin-...)
Show SMILES CCc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H26N6O/c1-3-20-9-8-18(15-27-20)21-22(17-6-4-16(14-25)5-7-17)28-24(29(2)23(21)31)30-12-10-19(26)11-13-30/h4-9,15,19H,3,10-13,26H2,1-2H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10023543 (2018)

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


(Homo sapiens (Human))
BDBM283128
PNG
(4-(2-(4-aminopiperidin-1-yl)- 1-methyl-6-oxo-5-p-t...)
Show SMILES Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c1-16-3-7-18(8-4-16)21-22(19-9-5-17(15-25)6-10-19)27-24(28(2)23(21)30)29-13-11-20(26)12-14-29/h3-10,20H,11-14,26H2,1-2H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10023543 (2018)

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


(Homo sapiens (Human))
BDBM283331
PNG
(4-[2-(4-aminopiperidin-1-yl)-1- methyl-6-oxopyrimi...)
Show SMILES Cn1c(nc(cc1=O)-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Show InChI InChI=1S/C17H18FN5O/c1-22-16(24)9-15(11-2-3-12(10-19)14(18)8-11)21-17(22)23-6-4-13(20)5-7-23/h2-3,8-9,13H,4-7,20H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9776974 (2017)

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


(Homo sapiens (Human))
BDBM283281
PNG
(4-[2-(3-amino-azetidin-1-yl)-5- (4-methoxy-phenyl)...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CC(N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C22H20FN5O2/c1-27-21(29)19(13-5-7-17(30-2)8-6-13)20(26-22(27)28-11-16(25)12-28)14-3-4-15(10-24)18(23)9-14/h3-9,16H,11-12,25H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9776974 (2017)

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


(Homo sapiens (Human))
BDBM283231
PNG
(2-(4-amino-piperidin-1-yl)-4-(4- cyano-3-fluoro-ph...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#N)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C18H17FN6O/c1-24-17(26)14(10-21)16(11-2-3-12(9-20)15(19)8-11)23-18(24)25-6-4-13(22)5-7-25/h2-3,8,13H,4-7,22H2,1H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9776974 (2017)

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


(Homo sapiens (Human))
BDBM283331
PNG
(4-[2-(4-aminopiperidin-1-yl)-1- methyl-6-oxopyrimi...)
Show SMILES Cn1c(nc(cc1=O)-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Show InChI InChI=1S/C17H18FN5O/c1-22-16(24)9-15(11-2-3-12(10-19)14(18)8-11)21-17(22)23-6-4-13(20)5-7-23/h2-3,8-9,13H,4-7,20H2,1H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9771329 (2017)

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


(Homo sapiens (Human))
BDBM283333
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- cyclopropylmethyl...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#C)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C19H18FN5O/c1-3-15-17(12-4-5-13(11-21)16(20)10-12)23-19(24(2)18(15)26)25-8-6-14(22)7-9-25/h1,4-5,10,14H,6-9,22H2,2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9771329 (2017)

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


(Homo sapiens (Human))
BDBM283220
PNG
(4-[2-(4-amino-piperidin-1-yl)-5-(6- ethyl-pyridin-...)
Show SMILES CCc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H26N6O/c1-3-20-9-8-18(15-27-20)21-22(17-6-4-16(14-25)5-7-17)28-24(29(2)23(21)31)30-12-10-19(26)11-13-30/h4-9,15,19H,3,10-13,26H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9776974 (2017)

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


(Homo sapiens (Human))
BDBM283199
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- methyl-5-(6-methy...)
Show SMILES Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6O/c1-15-3-6-18(14-26-15)20-21(17-7-4-16(13-24)5-8-17)27-23(28(2)22(20)30)29-11-9-19(25)10-12-29/h3-8,14,19H,9-12,25H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9776974 (2017)

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


(Homo sapiens (Human))
BDBM283128
PNG
(4-(2-(4-aminopiperidin-1-yl)- 1-methyl-6-oxo-5-p-t...)
Show SMILES Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c1-16-3-7-18(8-4-16)21-22(19-9-5-17(15-25)6-10-19)27-24(28(2)23(21)30)29-13-11-20(26)12-14-29/h3-10,20H,11-14,26H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9776974 (2017)

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


(Homo sapiens (Human))
BDBM283333
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- cyclopropylmethyl...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#C)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C19H18FN5O/c1-3-15-17(12-4-5-13(11-21)16(20)10-12)23-19(24(2)18(15)26)25-8-6-14(22)7-9-25/h1,4-5,10,14H,6-9,22H2,2H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10023543 (2018)

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


(Homo sapiens (Human))
BDBM283199
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- methyl-5-(6-methy...)
Show SMILES Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6O/c1-15-3-6-18(14-26-15)20-21(17-7-4-16(13-24)5-8-17)27-23(28(2)22(20)30)29-11-9-19(25)10-12-29/h3-8,14,19H,9-12,25H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9771329 (2017)

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


(Homo sapiens (Human))
BDBM283281
PNG
(4-[2-(3-amino-azetidin-1-yl)-5- (4-methoxy-phenyl)...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CC(N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C22H20FN5O2/c1-27-21(29)19(13-5-7-17(30-2)8-6-13)20(26-22(27)28-11-16(25)12-28)14-3-4-15(10-24)18(23)9-14/h3-9,16H,11-12,25H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9771329 (2017)

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


(Homo sapiens (Human))
BDBM283199
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- methyl-5-(6-methy...)
Show SMILES Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6O/c1-15-3-6-18(14-26-15)20-21(17-7-4-16(13-24)5-8-17)27-23(28(2)22(20)30)29-11-9-19(25)10-12-29/h3-8,14,19H,9-12,25H2,1-2H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10023543 (2018)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283128
PNG
(4-(2-(4-aminopiperidin-1-yl)- 1-methyl-6-oxo-5-p-t...)
Show SMILES Cc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H25N5O/c1-16-3-7-18(8-4-16)21-22(19-9-5-17(15-25)6-10-19)27-24(28(2)23(21)30)29-13-11-20(26)12-14-29/h3-10,20H,11-14,26H2,1-2H3
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n/an/a<100n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283199
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- methyl-5-(6-methy...)
Show SMILES Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H24N6O/c1-15-3-6-18(14-26-15)20-21(17-7-4-16(13-24)5-8-17)27-23(28(2)22(20)30)29-11-9-19(25)10-12-29/h3-8,14,19H,9-12,25H2,1-2H3
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n/an/a<100n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283220
PNG
(4-[2-(4-amino-piperidin-1-yl)-5-(6- ethyl-pyridin-...)
Show SMILES CCc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H26N6O/c1-3-20-9-8-18(15-27-20)21-22(17-6-4-16(14-25)5-7-17)28-24(29(2)23(21)31)30-12-10-19(26)11-13-30/h4-9,15,19H,3,10-13,26H2,1-2H3
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n/an/a<100n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

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


(Homo sapiens (Human))
BDBM283231
PNG
(2-(4-amino-piperidin-1-yl)-4-(4- cyano-3-fluoro-ph...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#N)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C18H17FN6O/c1-24-17(26)14(10-21)16(11-2-3-12(9-20)15(19)8-11)23-18(24)25-6-4-13(22)5-7-25/h2-3,8,13H,4-7,22H2,1H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10023543 (2018)

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


(Homo sapiens (Human))
BDBM283281
PNG
(4-[2-(3-amino-azetidin-1-yl)-5- (4-methoxy-phenyl)...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CC(N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C22H20FN5O2/c1-27-21(29)19(13-5-7-17(30-2)8-6-13)20(26-22(27)28-11-16(25)12-28)14-3-4-15(10-24)18(23)9-14/h3-9,16H,11-12,25H2,1-2H3
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n/an/a<100n/an/an/an/an/a25



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10023543 (2018)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283231
PNG
(2-(4-amino-piperidin-1-yl)-4-(4- cyano-3-fluoro-ph...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#N)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C18H17FN6O/c1-24-17(26)14(10-21)16(11-2-3-12(9-20)15(19)8-11)23-18(24)25-6-4-13(22)5-7-25/h2-3,8,13H,4-7,22H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM289877
PNG
(4-[2-(4-aminopiperidin-1-yl)-5-chloro-1-methyl-6-o...)
Show SMILES Cn1c(nc(-c2ccc([N+]#[C-])c(F)c2)c(Cl)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C17H17ClFN5O/c1-21-13-4-3-10(9-12(13)19)15-14(18)16(25)23(2)17(22-15)24-7-5-11(20)6-8-24/h3-4,9,11H,5-8,20H2,2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283281
PNG
(4-[2-(3-amino-azetidin-1-yl)-5- (4-methoxy-phenyl)...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CC(N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C22H20FN5O2/c1-27-21(29)19(13-5-7-17(30-2)8-6-13)20(26-22(27)28-11-16(25)12-28)14-3-4-15(10-24)18(23)9-14/h3-9,16H,11-12,25H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283331
PNG
(4-[2-(4-aminopiperidin-1-yl)-1- methyl-6-oxopyrimi...)
Show SMILES Cn1c(nc(cc1=O)-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Show InChI InChI=1S/C17H18FN5O/c1-22-16(24)9-15(11-2-3-12(10-19)14(18)8-11)21-17(22)23-6-4-13(20)5-7-23/h2-3,8-9,13H,4-7,20H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

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


(Homo sapiens (Human))
BDBM283331
PNG
(4-[2-(4-aminopiperidin-1-yl)-1- methyl-6-oxopyrimi...)
Show SMILES Cn1c(nc(cc1=O)-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Show InChI InChI=1S/C17H18FN5O/c1-22-16(24)9-15(11-2-3-12(10-19)14(18)8-11)21-17(22)23-6-4-13(20)5-7-23/h2-3,8-9,13H,4-7,20H2,1H3
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10023543 (2018)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283333
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- cyclopropylmethyl...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#C)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C19H18FN5O/c1-3-15-17(12-4-5-13(11-21)16(20)10-12)23-19(24(2)18(15)26)25-8-6-14(22)7-9-25/h1,4-5,10,14H,6-9,22H2,2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

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


(Homo sapiens (Human))
BDBM283231
PNG
(2-(4-amino-piperidin-1-yl)-4-(4- cyano-3-fluoro-ph...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#N)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C18H17FN6O/c1-24-17(26)14(10-21)16(11-2-3-12(9-20)15(19)8-11)23-18(24)25-6-4-13(22)5-7-25/h2-3,8,13H,4-7,22H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9771329 (2017)

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


(Homo sapiens (Human))
BDBM283220
PNG
(4-[2-(4-amino-piperidin-1-yl)-5-(6- ethyl-pyridin-...)
Show SMILES CCc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H26N6O/c1-3-20-9-8-18(15-27-20)21-22(17-6-4-16(14-25)5-7-17)28-24(29(2)23(21)31)30-12-10-19(26)11-13-30/h4-9,15,19H,3,10-13,26H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9771329 (2017)

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


(Homo sapiens (Human))
BDBM283333
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- cyclopropylmethyl...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#C)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C19H18FN5O/c1-3-15-17(12-4-5-13(11-21)16(20)10-12)23-19(24(2)18(15)26)25-8-6-14(22)7-9-25/h1,4-5,10,14H,6-9,22H2,2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9776974 (2017)

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


(Homo sapiens (Human))
BDBM283332
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- cyclopropylmethyl...)
Show SMILES NC1CCN(CC1)c1nc(cc(=O)n1CC1CC1)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C20H22FN5O/c21-17-9-14(3-4-15(17)11-22)18-10-19(27)26(12-13-1-2-13)20(24-18)25-7-5-16(23)6-8-25/h3-4,9-10,13,16H,1-2,5-8,12,23H2
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9776974 (2017)

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


(Homo sapiens (Human))
BDBM283227
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- (3-hydroxy-propyl...)
Show SMILES NC1CCN(CC1)c1nc(cc(=O)n1CCCO)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C19H22FN5O2/c20-16-10-13(2-3-14(16)12-21)17-11-18(27)25(6-1-9-26)19(23-17)24-7-4-15(22)5-8-24/h2-3,10-11,15,26H,1,4-9,22H2
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9776974 (2017)

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


(Homo sapiens (Human))
BDBM283223
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- ethyl-6-oxo-1,6-d...)
Show SMILES CCn1c(nc(cc1=O)-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Show InChI InChI=1S/C18H20FN5O/c1-2-24-17(25)10-16(12-3-4-13(11-20)15(19)9-12)22-18(24)23-7-5-14(21)6-8-23/h3-4,9-10,14H,2,5-8,21H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9776974 (2017)

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


(Homo sapiens (Human))
BDBM283231
PNG
(2-(4-amino-piperidin-1-yl)-4-(4- cyano-3-fluoro-ph...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#N)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C18H17FN6O/c1-24-17(26)14(10-21)16(11-2-3-12(9-20)15(19)8-11)23-18(24)25-6-4-13(22)5-7-25/h2-3,8,13H,4-7,22H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9771329 (2017)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283341
PNG
(2-(4-amino-piperidin-1-yl)-3- methyl-5-(1-methyl-1...)
Show SMILES Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccncc1
Show InChI InChI=1S/C24H26N6O/c1-28-12-7-17-15-18(3-4-20(17)28)21-22(16-5-10-26-11-6-16)27-24(29(2)23(21)31)30-13-8-19(25)9-14-30/h3-7,10-12,15,19H,8-9,13-14,25H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283332
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- cyclopropylmethyl...)
Show SMILES NC1CCN(CC1)c1nc(cc(=O)n1CC1CC1)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C20H22FN5O/c21-17-9-14(3-4-15(17)11-22)18-10-19(27)26(12-13-1-2-13)20(24-18)25-7-5-16(23)6-8-25/h3-4,9-10,13,16H,1-2,5-8,12,23H2
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283227
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- (3-hydroxy-propyl...)
Show SMILES NC1CCN(CC1)c1nc(cc(=O)n1CCCO)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C19H22FN5O2/c20-16-10-13(2-3-14(16)12-21)17-11-18(27)25(6-1-9-26)19(23-17)24-7-4-15(22)5-8-24/h2-3,10-11,15,26H,1,4-9,22H2
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283223
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- ethyl-6-oxo-1,6-d...)
Show SMILES CCn1c(nc(cc1=O)-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Show InChI InChI=1S/C18H20FN5O/c1-2-24-17(25)10-16(12-3-4-13(11-20)15(19)9-12)22-18(24)23-7-5-14(21)6-8-23/h3-4,9-10,14H,2,5-8,21H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

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


(Homo sapiens (Human))
BDBM283231
PNG
(2-(4-amino-piperidin-1-yl)-4-(4- cyano-3-fluoro-ph...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#N)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C18H17FN6O/c1-24-17(26)14(10-21)16(11-2-3-12(9-20)15(19)8-11)23-18(24)25-6-4-13(22)5-7-25/h2-3,8,13H,4-7,22H2,1H3
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10023543 (2018)

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


(Homo sapiens (Human))
BDBM283341
PNG
(2-(4-amino-piperidin-1-yl)-3- methyl-5-(1-methyl-1...)
Show SMILES Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccncc1
Show InChI InChI=1S/C24H26N6O/c1-28-12-7-17-15-18(3-4-20(17)28)21-22(16-5-10-26-11-6-16)27-24(29(2)23(21)31)30-13-8-19(25)9-14-30/h3-7,10-12,15,19H,8-9,13-14,25H2,1-2H3
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10023543 (2018)

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


(Homo sapiens (Human))
BDBM283332
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- cyclopropylmethyl...)
Show SMILES NC1CCN(CC1)c1nc(cc(=O)n1CC1CC1)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C20H22FN5O/c21-17-9-14(3-4-15(17)11-22)18-10-19(27)26(12-13-1-2-13)20(24-18)25-7-5-16(23)6-8-25/h3-4,9-10,13,16H,1-2,5-8,12,23H2
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10023543 (2018)

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


(Homo sapiens (Human))
BDBM283227
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- (3-hydroxy-propyl...)
Show SMILES NC1CCN(CC1)c1nc(cc(=O)n1CCCO)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C19H22FN5O2/c20-16-10-13(2-3-14(16)12-21)17-11-18(27)25(6-1-9-26)19(23-17)24-7-4-15(22)5-8-24/h2-3,10-11,15,26H,1,4-9,22H2
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10023543 (2018)

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


(Homo sapiens (Human))
BDBM283223
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- ethyl-6-oxo-1,6-d...)
Show SMILES CCn1c(nc(cc1=O)-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Show InChI InChI=1S/C18H20FN5O/c1-2-24-17(25)10-16(12-3-4-13(11-20)15(19)9-12)22-18(24)23-7-5-14(21)6-8-23/h3-4,9-10,14H,2,5-8,21H2,1H3
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CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US10023543 (2018)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283231
PNG
(2-(4-amino-piperidin-1-yl)-4-(4- cyano-3-fluoro-ph...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#N)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C18H17FN6O/c1-24-17(26)14(10-21)16(11-2-3-12(9-20)15(19)8-11)23-18(24)25-6-4-13(22)5-7-25/h2-3,8,13H,4-7,22H2,1H3
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n/an/a 550n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

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


(Homo sapiens (Human))
BDBM283341
PNG
(2-(4-amino-piperidin-1-yl)-3- methyl-5-(1-methyl-1...)
Show SMILES Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccncc1
Show InChI InChI=1S/C24H26N6O/c1-28-12-7-17-15-18(3-4-20(17)28)21-22(16-5-10-26-11-6-16)27-24(29(2)23(21)31)30-13-8-19(25)9-14-30/h3-7,10-12,15,19H,8-9,13-14,25H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9771329 (2017)

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


(Homo sapiens (Human))
BDBM283332
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- cyclopropylmethyl...)
Show SMILES NC1CCN(CC1)c1nc(cc(=O)n1CC1CC1)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C20H22FN5O/c21-17-9-14(3-4-15(17)11-22)18-10-19(27)26(12-13-1-2-13)20(24-18)25-7-5-16(23)6-8-25/h3-4,9-10,13,16H,1-2,5-8,12,23H2
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9771329 (2017)

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


(Homo sapiens (Human))
BDBM283227
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- (3-hydroxy-propyl...)
Show SMILES NC1CCN(CC1)c1nc(cc(=O)n1CCCO)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C19H22FN5O2/c20-16-10-13(2-3-14(16)12-21)17-11-18(27)25(6-1-9-26)19(23-17)24-7-4-15(22)5-8-24/h2-3,10-11,15,26H,1,4-9,22H2
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9771329 (2017)

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


(Homo sapiens (Human))
BDBM283223
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- ethyl-6-oxo-1,6-d...)
Show SMILES CCn1c(nc(cc1=O)-c1ccc(C#N)c(F)c1)N1CCC(N)CC1
Show InChI InChI=1S/C18H20FN5O/c1-2-24-17(25)10-16(12-3-4-13(11-20)15(19)9-12)22-18(24)23-7-5-14(21)6-8-23/h3-4,9-10,14H,2,5-8,21H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9771329 (2017)

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


(Homo sapiens (Human))
BDBM283231
PNG
(2-(4-amino-piperidin-1-yl)-4-(4- cyano-3-fluoro-ph...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#N)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C18H17FN6O/c1-24-17(26)14(10-21)16(11-2-3-12(9-20)15(19)8-11)23-18(24)25-6-4-13(22)5-7-25/h2-3,8,13H,4-7,22H2,1H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9776974 (2017)

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


(Homo sapiens (Human))
BDBM283341
PNG
(2-(4-amino-piperidin-1-yl)-3- methyl-5-(1-methyl-1...)
Show SMILES Cn1ccc2cc(ccc12)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccncc1
Show InChI InChI=1S/C24H26N6O/c1-28-12-7-17-15-18(3-4-20(17)28)21-22(16-5-10-26-11-6-16)27-24(29(2)23(21)31)30-13-8-19(25)9-14-30/h3-7,10-12,15,19H,8-9,13-14,25H2,1-2H3
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Celgene Quanticel Research, Inc.

US Patent


Assay Description
The enzymatic assay of LSD1 activity is based on Time Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties ...


US Patent US9776974 (2017)

More data for this
Ligand-Target Pair
lsd1


(Homo sapiens (Human))
BDBM283340
PNG
(2-(4-amino-piperidin-1-yl)-5-(3- fluoro-4-methoxy-...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccncc1
Show InChI InChI=1S/C22H24FN5O2/c1-27-21(29)19(15-3-4-18(30-2)17(23)13-15)20(14-5-9-25-10-6-14)26-22(27)28-11-7-16(24)8-12-28/h3-6,9-10,13,16H,7-8,11-12,24H2,1-2H3
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n/an/a 5.50E+3n/an/an/an/an/a25



Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD1 demethylase activity. E. coli expressed full-length human LSD1 (Accession number...


US Patent US9573930 (2017)

More data for this
Ligand-Target Pair
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