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Found 41 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM283216'   
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))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LSD1 (unknown origin) using H3K4me1 substrate by TR-FRET assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00978
BindingDB Entry DOI: 10.7270/Q2RJ4P33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a 7n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of LSD1 in human THP1 cells assessed as induction of cell differentiation by measuring CD11b expression incubated for 96 hrs by FACS assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00978
BindingDB Entry DOI: 10.7270/Q2RJ4P33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2GQ70TM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2H70HV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2H70HV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2H70HV3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2BZ686N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2BZ686N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2BZ686N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SR7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SR7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2NG4SR7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Duquesne University



Assay Description
This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...


Bioorg Med Chem 17: 7324-36 (2009)


BindingDB Entry DOI: 10.7270/Q2W66P3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Duquesne University



Assay Description
This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...


Bioorg Med Chem 17: 7324-36 (2009)


BindingDB Entry DOI: 10.7270/Q2W66P3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Duquesne University



Assay Description
This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...


Bioorg Med Chem 17: 7324-36 (2009)


BindingDB Entry DOI: 10.7270/Q2W66P3N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



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 US10207999 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5HRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



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 US10207999 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5HRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



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 US10207999 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5HRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
To analyze LSD1 inhibitor efficacy in cells, a CD11b flow cytometry assay was performed. LSD1 inhibition induces CD11b expression in THP-1 (AML) cell...


US Patent US10207999 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5HRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
To analyze LSD1 inhibitor efficacy in cells, a CD11b flow cytometry assay was performed. LSD1 inhibition induces CD11b expression in THP-1 (AML) cell...


US Patent US10207999 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5HRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
To analyze LSD1 inhibitor efficacy in cells, a CD11b flow cytometry assay was performed. LSD1 inhibition induces CD11b expression in THP-1 (AML) cell...


US Patent US10207999 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5HRT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...


US Patent US10543213 (2020)


BindingDB Entry DOI: 10.7270/Q2X63QBC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...


US Patent US10543213 (2020)


BindingDB Entry DOI: 10.7270/Q2X63QBC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...


US Patent US10543213 (2020)


BindingDB Entry DOI: 10.7270/Q2X63QBC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...


US Patent US10548896 (2020)


BindingDB Entry DOI: 10.7270/Q29889CV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...


US Patent US10548896 (2020)


BindingDB Entry DOI: 10.7270/Q29889CV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



Celgene Quanticel Research, Inc.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...


US Patent US10548896 (2020)


BindingDB Entry DOI: 10.7270/Q29889CV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...


US Patent US10849898 (2020)


BindingDB Entry DOI: 10.7270/Q2XS5ZGP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...


US Patent US10849898 (2020)


BindingDB Entry DOI: 10.7270/Q2XS5ZGP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a



CELGENE QUANTICEL RESEARCH, INC.

US Patent


Assay Description
This assay determines the ability of a test compound to inhibit LSD-1 demethylase activity. E. coli expressed full-length human LSD-1 (Accession numb...


US Patent US10849898 (2020)


BindingDB Entry DOI: 10.7270/Q2XS5ZGP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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 LSD-1 activity is based on Tnne Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties...


US Patent US10960005 (2021)


BindingDB Entry DOI: 10.7270/Q2CR5XFH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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 LSD-1 activity is based on Tnne Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties...


US Patent US10960005 (2021)


BindingDB Entry DOI: 10.7270/Q2CR5XFH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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 LSD-1 activity is based on Tnne Resolved-Fluorescence Resonance Energy Transfer (TR-FRET) detection. The inhibitory properties...


US Patent US10960005 (2021)


BindingDB Entry DOI: 10.7270/Q2CR5XFH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TF01G7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2GQ70TM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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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)


BindingDB Entry DOI: 10.7270/Q2GQ70TM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TF01G7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/a<100n/an/an/an/an/an/a


TBA

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...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2TF01G7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/an/an/a 6n/an/an/an/a


TBA

Assay Description
Inhibition of LSD1 in human NCI-H1417 cells assessed as suppression of GRP mRNA expression incubated for 12 days by qPCR analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00978
BindingDB Entry DOI: 10.7270/Q2RJ4P33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/an/an/a 4n/an/an/an/a


TBA

Assay Description
Inhibition of LSD1 in human NCI-H1417 cells assessed as suppression of GRP mRNA expression incubated for 4 days by qPCR analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00978
BindingDB Entry DOI: 10.7270/Q2RJ4P33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283216
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (3-fluoro-4-metho...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-6-20(33-2)19(26)11-14)22(15-3-4-16(13-27)18(25)12-15)29-24(30)31-9-7-17(28)8-10-31/h3-6,11-12,17H,7-10,28H2,1-2H3
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n/an/an/an/a 3n/an/an/an/a


TBA

Assay Description
Inhibition of LSD1 in human NCI-H69 cells assessed as suppression of GRP mRNA expression incubated for 4 days by qPCR analysis


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c00978
BindingDB Entry DOI: 10.7270/Q2RJ4P33
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)