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Compile Data Set for Download or QSAR

Found 12 hits Enz. Inhib. hit(s) with Target = 'Lysine-specific histone demethylase 1A' and Ligand = 'BDBM283199'   
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))
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)


BindingDB Entry DOI: 10.7270/Q2GQ70TM
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 US9573930 (2017)


BindingDB Entry DOI: 10.7270/Q2H70HV3
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)


BindingDB Entry DOI: 10.7270/Q2BZ686N
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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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
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



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
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


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
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
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
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
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
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
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
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
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
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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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
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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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