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BDBM283225 US10023543, Example 15::US10207999, Example 15::US10328077, Example 15::US10548896, Example 15::US10849898, Example 15::US10960005, Example 15::US9771329, Example 15::US9776974, Example 15::[2-(4-amino-piperidin-1-yl)-4-(4- cyano-3-fluoro-phenyl)-5-(4- methoxy-phenyl)-6-oxo-6H- pyrimidin-1-yl]-acetic acid

SMILES: COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1

InChI Key: InChIKey=NHFIQRIFWSTWIJ-UHFFFAOYSA-N

Data: 10 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 283225   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM283225
PNG
(US10023543, Example 15 | US10207999, Example 15 | ...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN5O4/c1-35-19-6-4-15(5-7-19)22-23(16-2-3-17(13-27)20(26)12-16)29-25(30-10-8-18(28)9-11-30)31(24(22)34)14-21(32)33/h2-7,12,18H,8-11,14,28H2,1H3,(H,32,33)
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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))
BDBM283225
PNG
(US10023543, Example 15 | US10207999, Example 15 | ...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN5O4/c1-35-19-6-4-15(5-7-19)22-23(16-2-3-17(13-27)20(26)12-16)29-25(30-10-8-18(28)9-11-30)31(24(22)34)14-21(32)33/h2-7,12,18H,8-11,14,28H2,1H3,(H,32,33)
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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)


BindingDB Entry DOI: 10.7270/Q2BZ686N
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM283225
PNG
(US10023543, Example 15 | US10207999, Example 15 | ...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN5O4/c1-35-19-6-4-15(5-7-19)22-23(16-2-3-17(13-27)20(26)12-16)29-25(30-10-8-18(28)9-11-30)31(24(22)34)14-21(32)33/h2-7,12,18H,8-11,14,28H2,1H3,(H,32,33)
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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))
BDBM283225
PNG
(US10023543, Example 15 | US10207999, Example 15 | ...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN5O4/c1-35-19-6-4-15(5-7-19)22-23(16-2-3-17(13-27)20(26)12-16)29-25(30-10-8-18(28)9-11-30)31(24(22)34)14-21(32)33/h2-7,12,18H,8-11,14,28H2,1H3,(H,32,33)
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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))
BDBM283225
PNG
(US10023543, Example 15 | US10207999, Example 15 | ...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN5O4/c1-35-19-6-4-15(5-7-19)22-23(16-2-3-17(13-27)20(26)12-16)29-25(30-10-8-18(28)9-11-30)31(24(22)34)14-21(32)33/h2-7,12,18H,8-11,14,28H2,1H3,(H,32,33)
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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)

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


(Homo sapiens (Human))
BDBM283225
PNG
(US10023543, Example 15 | US10207999, Example 15 | ...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN5O4/c1-35-19-6-4-15(5-7-19)22-23(16-2-3-17(13-27)20(26)12-16)29-25(30-10-8-18(28)9-11-30)31(24(22)34)14-21(32)33/h2-7,12,18H,8-11,14,28H2,1H3,(H,32,33)
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n/an/a 5.50E+4n/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))
BDBM283225
PNG
(US10023543, Example 15 | US10207999, Example 15 | ...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN5O4/c1-35-19-6-4-15(5-7-19)22-23(16-2-3-17(13-27)20(26)12-16)29-25(30-10-8-18(28)9-11-30)31(24(22)34)14-21(32)33/h2-7,12,18H,8-11,14,28H2,1H3,(H,32,33)
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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))
BDBM283225
PNG
(US10023543, Example 15 | US10207999, Example 15 | ...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN5O4/c1-35-19-6-4-15(5-7-19)22-23(16-2-3-17(13-27)20(26)12-16)29-25(30-10-8-18(28)9-11-30)31(24(22)34)14-21(32)33/h2-7,12,18H,8-11,14,28H2,1H3,(H,32,33)
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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))
BDBM283225
PNG
(US10023543, Example 15 | US10207999, Example 15 | ...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN5O4/c1-35-19-6-4-15(5-7-19)22-23(16-2-3-17(13-27)20(26)12-16)29-25(30-10-8-18(28)9-11-30)31(24(22)34)14-21(32)33/h2-7,12,18H,8-11,14,28H2,1H3,(H,32,33)
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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)

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


(Homo sapiens (Human))
BDBM283225
PNG
(US10023543, Example 15 | US10207999, Example 15 | ...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(CC(O)=O)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN5O4/c1-35-19-6-4-15(5-7-19)22-23(16-2-3-17(13-27)20(26)12-16)29-25(30-10-8-18(28)9-11-30)31(24(22)34)14-21(32)33/h2-7,12,18H,8-11,14,28H2,1H3,(H,32,33)
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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