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Patent code US10207999

Compile Data Set for Download or QSAR

Found 226 hits of Enzyme Inhibition Constant Data   
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))
BDBM283218
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (6-methoxy-pyridi...)
Show SMILES Cc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C23H23FN6O/c1-14-3-4-17(13-27-14)20-21(15-5-6-16(12-25)19(24)11-15)28-23(29(2)22(20)31)30-9-7-18(26)8-10-30/h3-6,11,13,18H,7-10,26H2,1-2H3
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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)

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


(Homo sapiens (Human))
BDBM283236
PNG
(4-[2-(4-aminopiperidyl)-1-methyl- 5-(2-methyl(2H-i...)
Show SMILES Cn1cc2cc(ccc2n1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H25N7O/c1-30-15-19-13-18(7-8-21(19)29-30)22-23(17-5-3-16(14-26)4-6-17)28-25(31(2)24(22)33)32-11-9-20(27)10-12-32/h3-8,13,15,20H,9-12,27H2,1-2H3
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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)

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


(Homo sapiens (Human))
BDBM283237
PNG
(4-[2-((3R)-3-aminopiperidyl)-5- (3-fluoro-4-methox...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-7-8-20(33-2)19(26)10-14)22(15-5-6-16(12-27)18(25)11-15)29-24(30)31-9-3-4-17(28)13-31/h5-8,10-11,17H,3-4,9,13,28H2,1-2H3/t17-/m1/s1
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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)

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


(Homo sapiens (Human))
BDBM283265
PNG
(4-[5-(3-fluoro-4-methoxy-phenyl)- 1-methyl-6-oxo-2...)
Show SMILES COc1ccc(cc1F)-c1c(nc(NC2CCNCC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24FN5O2/c1-30-23(31)21(17-7-8-20(32-2)19(25)13-17)22(16-5-3-15(14-26)4-6-16)29-24(30)28-18-9-11-27-12-10-18/h3-8,13,18,27H,9-12H2,1-2H3,(H,28,29)
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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)

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


(Homo sapiens (Human))
BDBM283266
PNG
(4-[2-(4-amino-piperidin-1-yl)- 2'-dimethylamino-1-...)
Show SMILES CN(C)c1ncc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C23H25FN8O/c1-30(2)22-27-12-16(13-28-22)19-20(14-4-5-15(11-25)18(24)10-14)29-23(31(3)21(19)33)32-8-6-17(26)7-9-32/h4-5,10,12-13,17H,6-9,26H2,1-3H3
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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)

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


(Homo sapiens (Human))
BDBM283267
PNG
(5-[2-(4-amino-piperidin-1-yl)-4- (4-cyano-3-fluoro...)
Show SMILES CNC(=O)c1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H24FN7O2/c1-28-22(33)19-6-5-16(13-29-19)20-21(14-3-4-15(12-26)18(25)11-14)30-24(31(2)23(20)34)32-9-7-17(27)8-10-32/h3-6,11,13,17H,7-10,27H2,1-2H3,(H,28,33)
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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)

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


(Homo sapiens (Human))
BDBM283275
PNG
(2-fluoro-4-[5-(6-methoxy-pyridin-3- yl)-1-methyl-2...)
Show SMILES CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)nc2)c(=O)n1C
Show InChI InChI=1S/C24H25FN6O2/c1-27-18-8-10-31(11-9-18)24-29-22(15-4-5-16(13-26)19(25)12-15)21(23(32)30(24)2)17-6-7-20(33-3)28-14-17/h4-7,12,14,18,27H,8-11H2,1-3H3
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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)

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


(Homo sapiens (Human))
BDBM283291
PNG
(4-[2-(4-dimethylamino-piperidin-1- yl)-1-methyl-5-...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3n(C)ncc3c2)c(=O)n1C
Show InChI InChI=1S/C27H28FN7O/c1-32(2)21-9-11-35(12-10-21)27-31-25(18-5-6-19(15-29)22(28)14-18)24(26(36)33(27)3)17-7-8-23-20(13-17)16-30-34(23)4/h5-8,13-14,16,21H,9-12H2,1-4H3
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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)

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


(Homo sapiens (Human))
BDBM283294
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (1H-indol-6-yl)-1...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3cc[nH]c3c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C25H23FN6O/c1-31-24(33)22(16-3-2-15-6-9-29-21(15)13-16)23(17-4-5-18(14-27)20(26)12-17)30-25(31)32-10-7-19(28)8-11-32/h2-6,9,12-13,19,29H,7-8,10-11,28H2,1H3
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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 US10207999 (2019)

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


(Homo sapiens (Human))
BDBM283298
PNG
(4-[2-((4S,3R)-4-amino-3-fluoro- piperidin-1-yl)-5-...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CC[C@H](N)[C@H](F)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-5-7-17(33-2)8-6-14)22(15-3-4-16(12-27)18(25)11-15)29-24(30)31-10-9-20(28)19(26)13-31/h3-8,11,19-20H,9-10,13,28H2,1-2H3/t19-,20+/m1/s1
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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)

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


(Homo sapiens (Human))
BDBM283299
PNG
(4-[2-(4-dimethylamino-piperidin-1- yl)-1-methyl-5-...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3cn(C)nc3c2)c(=O)n1C
Show InChI InChI=1S/C27H28FN7O/c1-32(2)21-9-11-35(12-10-21)27-30-25(18-6-7-19(15-29)22(28)13-18)24(26(36)34(27)4)17-5-8-20-16-33(3)31-23(20)14-17/h5-8,13-14,16,21H,9-12H2,1-4H3
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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)

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


(Homo sapiens (Human))
BDBM283301
PNG
(4-[2-(4-dimethylamino-piperidin-1- yl)-1-methyl-5-...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)nc2)c(=O)n1C
Show InChI InChI=1S/C25H27FN6O/c1-16-5-6-19(15-28-16)22-23(17-7-8-18(14-27)21(26)13-17)29-25(31(4)24(22)33)32-11-9-20(10-12-32)30(2)3/h5-8,13,15,20H,9-12H2,1-4H3
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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)

More data for this
Ligand-Target Pair
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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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)

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


(Homo sapiens (Human))
BDBM289947
PNG
(4-[2-(4-aminopiperidin-1- yl)-1-methyl-5-[4- (meth...)
Show SMILES CNc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H25FN6O/c1-28-19-7-5-15(6-8-19)21-22(16-3-4-17(14-26)20(25)13-16)29-24(30(2)23(21)32)31-11-9-18(27)10-12-31/h3-8,13,18,28H,9-12,27H2,1-2H3
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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)

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


(Homo sapiens (Human))
BDBM289959
PNG
(4-[2-(4-aminopiperidin- 1-yl)-5-(3-fluorophenyl)- ...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2cccc(F)c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C23H21F2N5O/c1-29-22(31)20(14-3-2-4-17(24)11-14)21(15-5-6-16(13-26)19(25)12-15)28-23(29)30-9-7-18(27)8-10-30/h2-6,11-12,18H,7-10,27H2,1H3
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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 US10207999 (2019)

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


(Homo sapiens (Human))
BDBM289960
PNG
(4-[2-(4-aminopiperidin- 1-yl)-5-(3,5-difluoropheny...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2cc(F)cc(F)c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C23H20F3N5O/c1-30-22(32)20(15-8-16(24)11-17(25)9-15)21(13-2-3-14(12-27)19(26)10-13)29-23(30)31-6-4-18(28)5-7-31/h2-3,8-11,18H,4-7,28H2,1H3
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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 US10207999 (2019)

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


(Homo sapiens (Human))
BDBM289961
PNG
(4-[2-(4-aminopiperidin- 1-yl)-5-(3,4-difluoropheny...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(F)c(F)c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C23H20F3N5O/c1-30-22(32)20(13-4-5-17(24)19(26)10-13)21(14-2-3-15(12-27)18(25)11-14)29-23(30)31-8-6-16(28)7-9-31/h2-5,10-11,16H,6-9,28H2,1H3
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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 US10207999 (2019)

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


(Homo sapiens (Human))
BDBM283224
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- cyclopentylethyny...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(C#CC2CCCC2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C24H26FN5O/c1-29-23(31)20(9-6-16-4-2-3-5-16)22(17-7-8-18(15-26)21(25)14-17)28-24(29)30-12-10-19(27)11-13-30/h7-8,14,16,19H,2-5,10-13,27H2,1H3
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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)

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


(Homo sapiens (Human))
BDBM283235
PNG
(4-{2-(4-aminopiperidyl)-1-methyl- 6-oxo-5-[6-(trif...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)C(F)(F)F)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C23H20F4N6O/c1-32-21(34)19(15-4-5-18(30-12-15)23(25,26)27)20(13-2-3-14(11-28)17(24)10-13)31-22(32)33-8-6-16(29)7-9-33/h2-5,10,12,16H,6-9,29H2,1H3
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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)

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


(Homo sapiens (Human))
BDBM283249
PNG
(4-{2-(4-amino-piperidin-1-yl)-1- methyl-6-oxo-5-[1...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2cnn(CC(F)(F)F)c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C22H21F4N7O/c1-31-20(34)18(15-10-29-33(11-15)12-22(24,25)26)19(13-2-3-14(9-27)17(23)8-13)30-21(31)32-6-4-16(28)5-7-32/h2-3,8,10-11,16H,4-7,12,28H2,1H3
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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)

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


(Homo sapiens (Human))
BDBM283263
PNG
(4-[2-[1,4]diazepan-1-yl-5-(3-fluoro- 4-methoxy-phe...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(15-6-7-20(33-2)19(26)12-15)22(16-4-5-17(14-27)18(25)13-16)29-24(30)31-10-3-8-28-9-11-31/h4-7,12-13,28H,3,8-11H2,1-2H3
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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)

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


(Homo sapiens (Human))
BDBM283289
PNG
(2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(3-me...)
Show SMILES CNCC1CN(C1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(OC)cc2)c(=O)n1C
Show InChI InChI=1S/C24H24FN5O2/c1-27-12-15-13-30(14-15)24-28-22(17-4-5-18(11-26)20(25)10-17)21(23(31)29(24)2)16-6-8-19(32-3)9-7-16/h4-10,15,27H,12-14H2,1-3H3
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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)

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


(Homo sapiens (Human))
BDBM342173
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (1H-indol-5-yl)-1...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3[nH]ccc3c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C25H23FN6O/c1-31-24(33)22(16-4-5-21-15(12-16)6-9-29-21)23(17-2-3-18(14-27)20(26)13-17)30-25(31)32-10-7-19(28)8-11-32/h2-6,9,12-13,19,29H,7-8,10-11,28H2,1H3
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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)

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


(Homo sapiens (Human))
BDBM283294
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (1H-indol-6-yl)-1...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3cc[nH]c3c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C25H23FN6O/c1-31-24(33)22(16-3-2-15-6-9-29-21(15)13-16)23(17-4-5-18(14-27)20(26)12-17)30-25(31)32-10-7-19(28)8-11-32/h2-6,9,12-13,19,29H,7-8,10-11,28H2,1H3
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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)

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


(Homo sapiens (Human))
BDBM283302
PNG
(4-[5-(6-dimethylamino-pyridin-3- yl)-1-methyl-2-(4...)
Show SMILES CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)N(C)C)c(=O)n1C
Show InChI InChI=1S/C25H28FN7O/c1-28-19-9-11-33(12-10-19)25-30-23(16-5-6-17(14-27)20(26)13-16)22(24(34)32(25)4)18-7-8-21(29-15-18)31(2)3/h5-8,13,15,19,28H,9-12H2,1-4H3
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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)

More data for this
Ligand-Target Pair
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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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)

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


(Homo sapiens (Human))
BDBM283309
PNG
(2-fluoro-4-[1-methyl-2- [4-(methylamino)piperidin-...)
Show SMILES CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3n(C)ncc3c2)c(=O)n1C
Show InChI InChI=1S/C26H26FN7O/c1-29-20-8-10-34(11-9-20)26-31-24(17-4-5-18(14-28)21(27)13-17)23(25(35)32(26)2)16-6-7-22-19(12-16)15-30-33(22)3/h4-7,12-13,15,20,29H,8-11H2,1-3H3
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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)

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


(Homo sapiens (Human))
BDBM342194
PNG
(4-[2-(4-aminopiperidin-1-yl)-5-(6- ethoxypyridin-3...)
Show SMILES CCOc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H25FN6O2/c1-3-33-20-7-6-17(14-28-20)21-22(15-4-5-16(13-26)19(25)12-15)29-24(30(2)23(21)32)31-10-8-18(27)9-11-31/h4-7,12,14,18H,3,8-11,27H2,1-2H3
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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)

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)

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


(Homo sapiens (Human))
BDBM283228
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- benzofuran-5-yl-1...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3occc3c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C25H22FN5O2/c1-30-24(32)22(16-4-5-21-15(12-16)8-11-33-21)23(17-2-3-18(14-27)20(26)13-17)29-25(30)31-9-6-19(28)7-10-31/h2-5,8,11-13,19H,6-7,9-10,28H2,1H3
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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 US10207999 (2019)

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


(Homo sapiens (Human))
BDBM283233
PNG
(2-fluoro-4-[1-methyl-2- (4-methylamino-piperidin-1...)
Show SMILES CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(C)nc2)c(=O)n1C
Show InChI InChI=1S/C24H25FN6O/c1-15-4-5-18(14-28-15)21-22(16-6-7-17(13-26)20(25)12-16)29-24(30(3)23(21)32)31-10-8-19(27-2)9-11-31/h4-7,12,14,19,27H,8-11H2,1-3H3
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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)

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


(Homo sapiens (Human))
BDBM289889
PNG
(4-[2-(4-amino-4-methyl-piperidin- 1-yl)-5-(3-fluor...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC(C)(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H25F2N5O2/c1-25(29)8-10-32(11-9-25)24-30-22(16-4-5-17(14-28)18(26)13-16)21(23(33)31(24)2)15-6-7-20(34-3)19(27)12-15/h4-7,12-13H,8-11,29H2,1-3H3
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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)

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


(Homo sapiens (Human))
BDBM283253
PNG
(4-[2-(4-aminopiperidyl)-5- (3,5-difluoro-4-methoxy...)
Show SMILES COc1c(F)cc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)20(16-11-18(25)22(33-2)19(26)12-16)21(15-5-3-14(13-27)4-6-15)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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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)

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


(Homo sapiens (Human))
BDBM283261
PNG
(4-{5-(3-fluoro-4-methoxy-phenyl)- 1-methyl-6-oxo-2...)
Show SMILES COc1ccc(cc1F)-c1c(nc(NC[C@@H]2CCNC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H24FN5O2/c1-30-23(31)21(18-7-8-20(32-2)19(25)11-18)22(17-5-3-15(12-26)4-6-17)29-24(30)28-14-16-9-10-27-13-16/h3-8,11,16,27H,9-10,13-14H2,1-2H3,(H,28,29)/t16-/m1/s1
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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)

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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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)

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


(Homo sapiens (Human))
BDBM283283
PNG
(4-[2-[1,4]diazepan-1-yl-1-methyl- 5-(2-methyl-2H-i...)
Show SMILES Cn1cc2cc(ccc2n1)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H24FN7O/c1-31-15-19-12-16(6-7-21(19)30-31)22-23(17-4-5-18(14-27)20(26)13-17)29-25(32(2)24(22)34)33-10-3-8-28-9-11-33/h4-7,12-13,15,28H,3,8-11H2,1-2H3
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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)

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


(Homo sapiens (Human))
BDBM283284
PNG
(4-[2-[1,4]diazepan-1-yl-5- (6-dimethylamino-pyridi...)
Show SMILES CN(C)c1ccc(cn1)-c1c(nc(N2CCCNCC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H27N7O/c1-29(2)20-10-9-19(16-27-20)21-22(18-7-5-17(15-25)6-8-18)28-24(30(3)23(21)32)31-13-4-11-26-12-14-31/h5-10,16,26H,4,11-14H2,1-3H3
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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)

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


(Homo sapiens (Human))
BDBM283285
PNG
(4-[2-(4-amino-piperidin-1-yl)-1- methyl-5-(6-morph...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)N2CCOCC2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C26H28FN7O2/c1-32-25(35)23(19-4-5-22(30-16-19)33-10-12-36-13-11-33)24(17-2-3-18(15-28)21(27)14-17)31-26(32)34-8-6-20(29)7-9-34/h2-5,14,16,20H,6-13,29H2,1H3
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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 US10207999 (2019)

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


(Homo sapiens (Human))
BDBM342173
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (1H-indol-5-yl)-1...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3[nH]ccc3c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C25H23FN6O/c1-31-24(33)22(16-4-5-21-15(12-16)6-9-29-21)23(17-2-3-18(14-27)20(26)13-17)30-25(31)32-10-7-19(28)8-11-32/h2-6,9,12-13,19,29H,7-8,10-11,28H2,1H3
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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 US10207999 (2019)

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


(Homo sapiens (Human))
BDBM283302
PNG
(4-[5-(6-dimethylamino-pyridin-3- yl)-1-methyl-2-(4...)
Show SMILES CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc(nc2)N(C)C)c(=O)n1C
Show InChI InChI=1S/C25H28FN7O/c1-28-19-9-11-33(12-10-19)25-30-23(16-5-6-17(14-27)20(26)13-16)22(24(34)32(25)4)18-7-8-21(29-15-18)31(2)3/h5-8,13,15,19,28H,9-12H2,1-4H3
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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)

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


(Homo sapiens (Human))
BDBM289949
PNG
(4-[2-[4- (dimethylamino)piperidin- 1-yl]-5-(6-meth...)
Show SMILES COc1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H27FN6O2/c1-30(2)19-9-11-32(12-10-19)25-29-23(16-5-6-17(14-27)20(26)13-16)22(24(33)31(25)3)18-7-8-21(34-4)28-15-18/h5-8,13,15,19H,9-12H2,1-4H3
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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)

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


(Homo sapiens (Human))
BDBM342195
PNG
(4-[2-(4-aminopiperidin-1-yl)-5- (4-ethoxyphenyl)-1...)
Show SMILES CCOc1ccc(cc1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H26FN5O2/c1-3-33-20-8-6-16(7-9-20)22-23(17-4-5-18(15-27)21(26)14-17)29-25(30(2)24(22)32)31-12-10-19(28)11-13-31/h4-9,14,19H,3,10-13,28H2,1-2H3
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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)

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


(Homo sapiens (Human))
BDBM283217
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (6-methoxypyridin...)
Show SMILES COc1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C23H23FN6O2/c1-29-22(31)20(16-5-6-19(32-2)27-13-16)21(14-3-4-15(12-25)18(24)11-14)28-23(29)30-9-7-17(26)8-10-30/h3-6,11,13,17H,7-10,26H2,1-2H3
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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)

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


(Homo sapiens (Human))
BDBM283237
PNG
(4-[2-((3R)-3-aminopiperidyl)-5- (3-fluoro-4-methox...)
Show SMILES COc1ccc(cc1F)-c1c(nc(N2CCC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)21(14-7-8-20(33-2)19(26)10-14)22(15-5-6-16(12-27)18(25)11-15)29-24(30)31-9-3-4-17(28)13-31/h5-8,10-11,17H,3-4,9,13,28H2,1-2H3/t17-/m1/s1
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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)

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


(Homo sapiens (Human))
BDBM283243
PNG
(4-[2-((3R)-3-aminopiperidyl)-5- (4-methoxyphenyl)-...)
Show SMILES COc1ccc(cc1)-c1c(nc(N2CCC[C@@H](N)C2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H24FN5O2/c1-29-23(31)21(15-7-9-19(32-2)10-8-15)22(16-5-6-17(13-26)20(25)12-16)28-24(29)30-11-3-4-18(27)14-30/h5-10,12,18H,3-4,11,14,27H2,1-2H3/t18-/m1/s1
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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)

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


(Homo sapiens (Human))
BDBM283253
PNG
(4-[2-(4-aminopiperidyl)-5- (3,5-difluoro-4-methoxy...)
Show SMILES COc1c(F)cc(cc1F)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H23F2N5O2/c1-30-23(32)20(16-11-18(25)22(33-2)19(26)12-16)21(15-5-3-14(13-27)4-6-15)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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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)

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


(Homo sapiens (Human))
BDBM283267
PNG
(5-[2-(4-amino-piperidin-1-yl)-4- (4-cyano-3-fluoro...)
Show SMILES CNC(=O)c1ccc(cn1)-c1c(nc(N2CCC(N)CC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C24H24FN7O2/c1-28-22(33)19-6-5-16(13-29-19)20-21(14-3-4-15(12-26)18(25)11-14)30-24(31(2)23(20)34)32-9-7-17(27)8-10-32/h3-6,11,13,17H,7-10,27H2,1-2H3,(H,28,33)
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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)

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


(Homo sapiens (Human))
BDBM283273
PNG
(2-fluoro-4-[5-(4-methoxy-phenyl)- 1-methyl-2-(meth...)
Show SMILES COc1ccc(cc1)-c1c(nc(N(C)C[C@@H]2CCNC2)n(C)c1=O)-c1ccc(C#N)c(F)c1
Show InChI InChI=1S/C25H26FN5O2/c1-30(15-16-10-11-28-14-16)25-29-23(18-4-5-19(13-27)21(26)12-18)22(24(32)31(25)2)17-6-8-20(33-3)9-7-17/h4-9,12,16,28H,10-11,14-15H2,1-3H3/t16-/m1/s1
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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)

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


(Homo sapiens (Human))
BDBM283282
PNG
(2-fluoro-4-[1-methyl-2- (4-methylamino-piperidin-1...)
Show SMILES CNC1CCN(CC1)c1nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3nn(C)cc3c2)c(=O)n1C
Show InChI InChI=1S/C26H26FN7O/c1-29-20-8-10-34(11-9-20)26-30-24(17-4-5-18(14-28)21(27)13-17)23(25(35)33(26)3)16-6-7-22-19(12-16)15-32(2)31-22/h4-7,12-13,15,20,29H,8-11H2,1-3H3
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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)

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


(Homo sapiens (Human))
BDBM283296
PNG
(4-[2-(4-amino-piperidin-1-yl)-5- (1H-indazol-6-yl)...)
Show SMILES Cn1c(nc(-c2ccc(C#N)c(F)c2)c(-c2ccc3cn[nH]c3c2)c1=O)N1CCC(N)CC1
Show InChI InChI=1S/C24H22FN7O/c1-31-23(33)21(14-2-5-17-13-28-30-20(17)11-14)22(15-3-4-16(12-26)19(25)10-15)29-24(31)32-8-6-18(27)7-9-32/h2-5,10-11,13,18H,6-9,27H2,1H3,(H,28,30)
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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)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%