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Compile Data Set for Download or QSAR

Found 116 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 885   
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))
BDBM111125
PNG
(US10112950, Example 1 | US10556908, Example 1 | US...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C25H23N5O/c1-17-2-6-21(7-3-17)23-22(20-8-4-18(14-26)5-9-20)29-25(24-28-12-13-30(23)24)31-16-19-10-11-27-15-19/h2-9,12-13,19,27H,10-11,15-16H2,1H3/t19-/m1/s1
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US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111127
PNG
(US10112950, Example 2 | US10556908, Example 2 | US...)
Show SMILES Cc1ccc(cc1)-c1c(nc(CCC2CCNC2)c2nccn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H25N5/c1-18-2-7-22(8-3-18)25-24(21-9-4-19(16-27)5-10-21)30-23(26-29-14-15-31(25)26)11-6-20-12-13-28-17-20/h2-5,7-10,14-15,20,28H,6,11-13,17H2,1H3
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US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM296871
PNG
(4-[8-{[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methy...)
Show SMILES CN(C)[C@H]1CCN(Cc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
Show InChI InChI=1S/C27H28N6/c1-19-5-7-21(8-6-19)26-25(20-9-11-22(28-2)12-10-20)30-24(27-29-14-16-33(26)27)18-32-15-13-23(17-32)31(3)4/h5-12,14,16,23H,13,15,17-18H2,1,3-4H3/t23-/m0/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM296872
PNG
(4-[8-{[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methy...)
Show SMILES CN(C)[C@@H]1CCN(Cc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
Show InChI InChI=1S/C27H28N6/c1-19-5-7-21(8-6-19)26-25(20-9-11-22(28-2)12-10-20)30-24(27-29-14-16-33(26)27)18-32-15-13-23(17-32)31(3)4/h5-12,14,16,23H,13,15,17-18H2,1,3-4H3/t23-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM296874
PNG
(4-{5-(4-methylphenyl)-8-[(1-methylpyrrolidin-3-yl)...)
Show SMILES CN1CCC(C1)Oc1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
Show InChI InChI=1S/C25H23N5O/c1-17-4-6-19(7-5-17)23-22(18-8-10-20(26-2)11-9-18)28-25(24-27-13-15-30(23)24)31-21-12-14-29(3)16-21/h4-11,13,15,21H,12,14,16H2,1,3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM296876
PNG
(4-{5-(4-methylphenyl)-8-[(3R)-piperidin-3-ylmethox...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|
Show InChI InChI=1S/C26H25N5O/c1-18-5-7-21(8-6-18)24-23(20-9-11-22(27-2)12-10-20)30-26(25-29-14-15-31(24)25)32-17-19-4-3-13-28-16-19/h5-12,14-15,19,28H,3-4,13,16-17H2,1H3/t19-/m1/s1
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US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM296877
PNG
(4-{5-(4-methylphenyl)-8-[(3S)-piperidin-3-ylmethox...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@H]2CCCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|
Show InChI InChI=1S/C26H25N5O/c1-18-5-7-21(8-6-18)24-23(20-9-11-22(27-2)12-10-20)30-26(25-29-14-15-31(24)25)32-17-19-4-3-13-28-16-19/h5-12,14-15,19,28H,3-4,13,16-17H2,1H3/t19-/m0/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM296878
PNG
(4-(5-(4-methylphenyl)-8-{[(3R)-1-methylpyrrolidin-...)
Show SMILES CN1CC[C@@H](COc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
Show InChI InChI=1S/C26H25N5O/c1-18-4-6-21(7-5-18)24-23(20-8-10-22(27-2)11-9-20)29-26(25-28-13-15-31(24)25)32-17-19-12-14-30(3)16-19/h4-11,13,15,19H,12,14,16-17H2,1,3H3/t19-/m1/s1
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US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM296879
PNG
(4-(5-(4-methylphenyl)-8-{[(3R)-1-methylpiperidin-3...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)[N+]#[C-])c(-c3ccc(C)cc3)n3ccnc23)C1 |r|
Show InChI InChI=1S/C27H27N5O/c1-19-6-8-22(9-7-19)25-24(21-10-12-23(28-2)13-11-21)30-27(26-29-14-16-32(25)26)33-18-20-5-4-15-31(3)17-20/h6-14,16,20H,4-5,15,17-18H2,1,3H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM296880
PNG
(4-(5-(4-methylphenyl)-8-{[(3R)-pyrrolidin-3-ylmeth...)
Show SMILES Cc1ccc(cc1)-c1c(nc(SC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)[N+]#[C-] |r|
Show InChI InChI=1S/C25H23N5S/c1-17-3-5-20(6-4-17)23-22(19-7-9-21(26-2)10-8-19)29-25(24-28-13-14-30(23)24)31-16-18-11-12-27-15-18/h3-10,13-14,18,27H,11-12,15-16H2,1H3/t18-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM296881
PNG
(4-[8-[4-(dimethylamino)piperidin-1-yl]-5-(4-methyl...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
Show InChI InChI=1S/C27H28N6/c1-19-5-7-21(8-6-19)25-24(20-9-11-22(28-2)12-10-20)30-27(26-29-15-18-33(25)26)32-16-13-23(14-17-32)31(3)4/h5-12,15,18,23H,13-14,16-17H2,1,3-4H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM296885
PNG
(4-[8-(4-methyl-1,4-diazepan-1-yl)-5-(4-methylpheny...)
Show SMILES CN1CCCN(CC1)c1nc(-c2ccc(cc2)[N+]#[C-])c(-c2ccc(C)cc2)n2ccnc12
Show InChI InChI=1S/C26H26N6/c1-19-5-7-21(8-6-19)24-23(20-9-11-22(27-2)12-10-20)29-26(25-28-13-16-32(24)25)31-15-4-14-30(3)17-18-31/h5-13,16H,4,14-15,17-18H2,1,3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111167
PNG
(US10112950, Example 19 | US10556908, Example 19 | ...)
Show SMILES Cc1ccc(cc1)-c1c(nc(N2CCC3(CCNC3)C2)c2nccn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H26N6/c1-19-2-6-22(7-3-19)24-23(21-8-4-20(16-28)5-9-21)31-26(25-30-13-15-33(24)25)32-14-11-27(18-32)10-12-29-17-27/h2-9,13,15,29H,10-12,14,17-18H2,1H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM296887
PNG
(4-[8-(2,7-diazaspiro[3.5]non-7-yl)-5-(4-methylphen...)
Show SMILES Cc1ccc(cc1)-c1c(nc(N2CCC3(CNC3)CC2)c2nccn12)-c1ccc(cc1)[N+]#[C-]
Show InChI InChI=1S/C27H26N6/c1-19-3-5-21(6-4-19)24-23(20-7-9-22(28-2)10-8-20)31-26(25-30-13-16-33(24)25)32-14-11-27(12-15-32)17-29-18-27/h3-10,13,16,29H,11-12,14-15,17-18H2,1H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111177
PNG
(US10112950, Example 29 | US10556908, Example 29 | ...)
Show SMILES N#Cc1ccc(cc1)-c1nc(OC[C@@H]2CCNC2)c2nccn2c1-c1ccc(cc1)N1CCCCC1 |r|
Show InChI InChI=1S/C29H30N6O/c30-18-21-4-6-23(7-5-21)26-27(24-8-10-25(11-9-24)34-15-2-1-3-16-34)35-17-14-32-28(35)29(33-26)36-20-22-12-13-31-19-22/h4-11,14,17,22,31H,1-3,12-13,15-16,19-20H2/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111178
PNG
(US10112950, Example 30 | US10556908, Example 30 | ...)
Show SMILES COc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nccn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C25H23N5O2/c1-31-21-8-6-20(7-9-21)23-22(19-4-2-17(14-26)3-5-19)29-25(24-28-12-13-30(23)24)32-16-18-10-11-27-15-18/h2-9,12-13,18,27H,10-11,15-16H2,1H3/t18-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111181
PNG
(US10112950, Example 33 | US10556908, Example 33 | ...)
Show SMILES Cc1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C26H25N5O/c1-17-3-7-22(8-4-17)24-23(21-9-5-19(13-27)6-10-21)30-26(25-29-18(2)15-31(24)25)32-16-20-11-12-28-14-20/h3-10,15,20,28H,11-12,14,16H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111184
PNG
(US10112950, Example 36 | US10556908, Example 36 | ...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CC#N)cn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C27H24N6O/c1-18-2-6-22(7-3-18)25-24(21-8-4-19(14-29)5-9-21)32-27(34-17-20-11-13-30-15-20)26-31-23(10-12-28)16-33(25)26/h2-9,16,20,30H,10-11,13,15,17H2,1H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111186
PNG
(US10112950, Example 38 | US10556908, Example 38 | ...)
Show SMILES CN(C)C(=O)c1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H28N6O2/c1-18-4-8-22(9-5-18)25-24(21-10-6-19(14-29)7-11-21)32-27(36-17-20-12-13-30-15-20)26-31-23(16-34(25)26)28(35)33(2)3/h4-11,16,20,30H,12-13,15,17H2,1-3H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111187
PNG
(US10112950, Example 39 | US10556908, Example 39 | ...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(cn12)C(=O)NC1CC1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H28N6O2/c1-18-2-6-22(7-3-18)26-25(21-8-4-19(14-30)5-9-21)34-29(37-17-20-12-13-31-15-20)27-33-24(16-35(26)27)28(36)32-23-10-11-23/h2-9,16,20,23,31H,10-13,15,17H2,1H3,(H,32,36)/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111188
PNG
(US10112950, Example 40 | US10556908, Example 40 | ...)
Show SMILES CN1CC(C1)NC(=O)c1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C30H31N7O2/c1-19-3-7-23(8-4-19)27-26(22-9-5-20(13-31)6-10-22)35-30(39-18-21-11-12-32-14-21)28-34-25(17-37(27)28)29(38)33-24-15-36(2)16-24/h3-10,17,21,24,32H,11-12,14-16,18H2,1-2H3,(H,33,38)/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111189
PNG
(US10112950, Example 41 | US10556908, Example 41 | ...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CO)cn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C26H25N5O2/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(12-27)5-9-20)30-26(33-16-19-10-11-28-13-19)25-29-22(15-32)14-31(24)25/h2-9,14,19,28,32H,10-11,13,15-16H2,1H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111190
PNG
(US10112950, Example 42 | US10556908, Example 42 | ...)
Show SMILES CN(C)Cc1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H30N6O/c1-19-4-8-23(9-5-19)26-25(22-10-6-20(14-29)7-11-22)32-28(35-18-21-12-13-30-15-21)27-31-24(16-33(2)3)17-34(26)27/h4-11,17,21,30H,12-13,15-16,18H2,1-3H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111191
PNG
(US10112950, Example 43 | US10556908, Example 43 | ...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CN3CCC3)cn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H30N6O/c1-20-3-7-24(8-4-20)27-26(23-9-5-21(15-30)6-10-23)33-29(36-19-22-11-12-31-16-22)28-32-25(18-35(27)28)17-34-13-2-14-34/h3-10,18,22,31H,2,11-14,16-17,19H2,1H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111192
PNG
(US10112950, Example 44 | US10556908, Example 44 | ...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CNCC3CC3)cn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C30H32N6O/c1-20-2-8-25(9-3-20)28-27(24-10-6-21(14-31)7-11-24)35-30(37-19-23-12-13-32-16-23)29-34-26(18-36(28)29)17-33-15-22-4-5-22/h2-3,6-11,18,22-23,32-33H,4-5,12-13,15-17,19H2,1H3/t23-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111193
PNG
(US10112950, Example 45 | US10556908, Example 45 | ...)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2nc(CNc3ccon3)cn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H27N7O2/c1-19-2-6-23(7-3-19)27-26(22-8-4-20(14-30)5-9-22)34-29(37-18-21-10-12-31-15-21)28-33-24(17-36(27)28)16-32-25-11-13-38-35-25/h2-9,11,13,17,21,31H,10,12,15-16,18H2,1H3,(H,32,35)/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111194
PNG
(US10112950, Example 46 | US10556908, Example 46 | ...)
Show SMILES CN(C)Cc1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCN(C)C3)c2n1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H32N6O/c1-20-5-9-24(10-6-20)27-26(23-11-7-21(15-30)8-12-23)32-29(36-19-22-13-14-34(4)16-22)28-31-25(17-33(2)3)18-35(27)28/h5-12,18,22H,13-14,16-17,19H2,1-4H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111195
PNG
(US10112950, Example 47 | US10556908, Example 47 | ...)
Show SMILES CN(C)CCc1cn2c(-c3ccc(C)cc3)c(nc(OC[C@@H]3CCNC3)c2n1)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H32N6O/c1-20-4-8-24(9-5-20)27-26(23-10-6-21(16-30)7-11-23)33-29(36-19-22-12-14-31-17-22)28-32-25(18-35(27)28)13-15-34(2)3/h4-11,18,22,31H,12-15,17,19H2,1-3H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111200
PNG
(US10112950, Example 52 | US10556908, Example 52 | ...)
Show SMILES CN(CC1CCCO1)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C31H35N7O2/c1-36-14-3-5-23(19-36)21-40-31-30-33-13-15-38(30)29(28(35-31)24-9-7-22(17-32)8-10-24)25-11-12-27(34-18-25)37(2)20-26-6-4-16-39-26/h7-13,15,18,23,26H,3-6,14,16,19-21H2,1-2H3/t23-,26?/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111201
PNG
(US10112950, Example 53 | US10556908, Example 53 | ...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ccc4c3)n3ccnc23)C1 |r|
Show InChI InChI=1S/C28H27N7O/c1-33-11-3-4-20(17-33)18-36-28-27-30-10-13-35(27)25(23-14-22-9-12-34(2)26(22)31-16-23)24(32-28)21-7-5-19(15-29)6-8-21/h5-10,12-14,16,20H,3-4,11,17-18H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111205
PNG
(US10112950, Example 57 | US10556908, Example 57 | ...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2ccnc12
Show InChI InChI=1S/C29H30N8O/c1-34(2)23-11-15-35(16-12-23)29-28-31-13-17-37(28)27(26(33-29)21-7-5-20(18-30)6-8-21)22-9-10-24(32-19-22)36-14-3-4-25(36)38/h5-10,13,17,19,23H,3-4,11-12,14-16H2,1-2H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111206
PNG
(US10112950, Example 58 | US10556908, Example 58 | ...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ncc3c2)n2ccnc12
Show InChI InChI=1S/C27H27N9/c1-33(2)22-8-11-35(12-9-22)27-26-29-10-13-36(26)24(20-14-21-17-31-34(3)25(21)30-16-20)23(32-27)19-6-4-18(15-28)5-7-19/h4-7,10,13-14,16-17,22H,8-9,11-12H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111207
PNG
(US10112950, Example 59 | US10556908, Example 59 | ...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)oc3c2)n2ccnc12
Show InChI InChI=1S/C28H27N7O2/c1-32(2)21-10-13-34(14-11-21)27-26-30-12-15-35(26)25(24(31-27)19-6-4-18(17-29)5-7-19)20-8-9-22-23(16-20)37-28(36)33(22)3/h4-9,12,15-16,21H,10-11,13-14H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111208
PNG
(US10112950, Example 60 | US10556908, Example 60 | ...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)COc3c2)n2ccnc12
Show InChI InChI=1S/C29H29N7O2/c1-33(2)22-10-13-35(14-11-22)29-28-31-12-15-36(28)27(26(32-29)20-6-4-19(17-30)5-7-20)21-8-9-23-24(16-21)38-18-25(37)34(23)3/h4-9,12,15-16,22H,10-11,13-14,18H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111210
PNG
(US10112950, Example 62 | US10556908, Example 62 | ...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc3oc(=O)n(C)c3cc2F)n2ccnc12 |(8.62,2.83,;7.29,3.6,;7.29,5.14,;5.96,2.83,;5.96,1.29,;4.62,.52,;3.29,1.29,;3.29,2.83,;4.62,3.6,;1.95,.52,;.62,1.29,;-.71,.52,;-2.05,1.29,;-3.38,.52,;-4.71,1.29,;-4.71,2.83,;-3.38,3.6,;-2.05,2.83,;-6.05,3.6,;-7.38,4.37,;-.71,-1.02,;-2.05,-1.79,;-3.38,-1.02,;-4.71,-1.79,;-6.18,-1.31,;-7.08,-2.56,;-8.62,-2.56,;-6.18,-3.81,;-6.95,-5.14,;-4.71,-3.33,;-3.38,-4.1,;-2.05,-3.33,;-.71,-4.1,;.62,-1.79,;.94,-3.3,;2.47,-3.46,;3.1,-2.05,;1.95,-1.02,)|
Show InChI InChI=1S/C28H26FN7O2/c1-33(2)19-8-11-35(12-9-19)27-26-31-10-13-36(26)25(24(32-27)18-6-4-17(16-30)5-7-18)20-14-23-22(15-21(20)29)34(3)28(37)38-23/h4-7,10,13-15,19H,8-9,11-12H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111213
PNG
(US10112950, Example 65 | US10556908, Example 65 | ...)
Show SMILES Cn1ncc2cc(ccc12)-c1c(nc(OC[C@@H]2CCCN(CCO)C2)c2nccn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H29N7O2/c1-34-25-9-8-23(15-24(25)17-32-34)27-26(22-6-4-20(16-30)5-7-22)33-29(28-31-10-12-36(27)28)38-19-21-3-2-11-35(18-21)13-14-37/h4-10,12,15,17,21,37H,2-3,11,13-14,18-19H2,1H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111397
PNG
(US10112950, Example 66 | US10556908, Example 66 | ...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)c(=O)oc3c2)n2ccnc12
Show InChI InChI=1S/C27H26N8O2/c1-32(2)20-8-11-34(12-9-20)26-25-29-10-13-35(25)23(22(31-26)18-6-4-17(15-28)5-7-18)19-14-21-24(30-16-19)33(3)27(36)37-21/h4-7,10,13-14,16,20H,8-9,11-12H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111398
PNG
(US10112950, Example 67 | US10556908, Example 67 | ...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCOC2=O)n2ccnc12
Show InChI InChI=1S/C28H28N8O2/c1-33(2)22-9-12-34(13-10-22)27-26-30-11-14-36(26)25(24(32-27)20-5-3-19(17-29)4-6-20)21-7-8-23(31-18-21)35-15-16-38-28(35)37/h3-8,11,14,18,22H,9-10,12-13,15-16H2,1-2H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111399
PNG
(US10112950, Example 68 | US10556908, Example 68 | ...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)nc(N)c3c2)n2ccnc12
Show InChI InChI=1S/C28H29N9/c1-34(2)21-10-13-36(14-11-21)28-27-31-12-15-37(27)25(24(32-28)19-6-4-18(17-29)5-7-19)20-8-9-23-22(16-20)26(30)33-35(23)3/h4-9,12,15-16,21H,10-11,13-14H2,1-3H3,(H2,30,33)
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111458
PNG
(US10112950, Example 69 | US10556908, Example 69 | ...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(c3)C#N)n3ccnc23)C1 |r|
Show InChI InChI=1S/C28H26N6O/c1-19-5-8-23(14-24(19)16-30)26-25(22-9-6-20(15-29)7-10-22)32-28(27-31-11-13-34(26)27)35-18-21-4-3-12-33(2)17-21/h5-11,13-14,21H,3-4,12,17-18H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111562
PNG
(US10112950, Example 70 | US10556908, Example 70 | ...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(CO)c3)n3ccnc23)C1 |r|
Show InChI InChI=1S/C28H29N5O2/c1-19-5-8-23(14-24(19)17-34)26-25(22-9-6-20(15-29)7-10-22)31-28(27-30-11-13-33(26)27)35-18-21-4-3-12-32(2)16-21/h5-11,13-14,21,34H,3-4,12,16-18H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111786
PNG
(US10112950, Example 72 | US10556908, Example 72 | ...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CO)c(C)c3)n3ccnc23)C1 |r|
Show InChI InChI=1S/C28H29N5O2/c1-19-14-23(9-10-24(19)17-34)26-25(22-7-5-20(15-29)6-8-22)31-28(27-30-11-13-33(26)27)35-18-21-4-3-12-32(2)16-21/h5-11,13-14,21,34H,3-4,12,16-18H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111793
PNG
(US10112950, Example 73 | US10556908, Example 73 | ...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CCC(O)c4c3)n3ccnc23)C1 |r|
Show InChI InChI=1S/C29H29N5O2/c1-33-13-2-3-20(17-33)18-36-29-28-31-12-14-34(28)27(23-9-8-21-10-11-25(35)24(21)15-23)26(32-29)22-6-4-19(16-30)5-7-22/h4-9,12,14-15,20,25,35H,2-3,10-11,13,17-18H2,1H3/t20-,25?/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111798
PNG
(US10112950, Example 76 | US10556908, Example 76 | ...)
Show SMILES COC(=O)N(C)c1cc(ccc1C)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C30H32N6O3/c1-20-7-10-24(16-25(20)35(3)30(37)38-4)27-26(23-11-8-21(17-31)9-12-23)33-29(28-32-13-15-36(27)28)39-19-22-6-5-14-34(2)18-22/h7-13,15-16,22H,5-6,14,18-19H2,1-4H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111800
PNG
(US10112950, Example 78 | US10556908, Example 78 | ...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CC(O)Cc4c3)n3ccnc23)C1 |r|
Show InChI InChI=1S/C29H29N5O2/c1-33-11-2-3-20(17-33)18-36-29-28-31-10-12-34(28)27(23-9-8-22-14-25(35)15-24(22)13-23)26(32-29)21-6-4-19(16-30)5-7-21/h4-10,12-13,20,25,35H,2-3,11,14-15,17-18H2,1H3/t20-,25?/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111802
PNG
(US10112950, Example 80 | US10556908, Example 80 | ...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4C(O)CCc4c3)n3ccnc23)C1 |r|
Show InChI InChI=1S/C29H29N5O2/c1-33-13-2-3-20(17-33)18-36-29-28-31-12-14-34(28)27(23-8-10-24-22(15-23)9-11-25(24)35)26(32-29)21-6-4-19(16-30)5-7-21/h4-8,10,12,14-15,20,25,35H,2-3,9,11,13,17-18H2,1H3/t20-,25?/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM111803
PNG
(US10112950, Example 81 | US10556908, Example 81 | ...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3ccnc23)C1 |r|
Show InChI InChI=1S/C28H28FN5O2/c1-18-12-22(13-24(29)23(18)16-35)26-25(21-7-5-19(14-30)6-8-21)32-28(27-31-9-11-34(26)27)36-17-20-4-3-10-33(2)15-20/h5-9,11-13,20,35H,3-4,10,15-17H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM112389
PNG
(US10112950, Example 85 | US10556908, Example 85 | ...)
Show SMILES COC(=O)N(C)Cc1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C30H31FN6O3/c1-35-13-4-5-21(17-35)19-40-29-28-33-12-14-37(28)27(26(34-29)22-8-6-20(16-32)7-9-22)23-10-11-24(25(31)15-23)18-36(2)30(38)39-3/h6-12,14-15,21H,4-5,13,17-19H2,1-3H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM112391
PNG
(US10112950, Example 87 | US10556908, Example 87 | ...)
Show SMILES CC(O)c1cc(ccc1C)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2nccn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H31N5O2/c1-19-6-9-24(15-25(19)20(2)35)27-26(23-10-7-21(16-30)8-11-23)32-29(28-31-12-14-34(27)28)36-18-22-5-4-13-33(3)17-22/h6-12,14-15,20,22,35H,4-5,13,17-18H2,1-3H3/t20?,22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM112394
PNG
(US10112950, Example 88 | US10556908, Example 88 | ...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4CCC(O)c4c(F)c3)n3ccnc23)C1 |r|
Show InChI InChI=1S/C29H28FN5O2/c1-34-11-2-3-19(16-34)17-37-29-28-32-10-12-35(28)27(26(33-29)20-6-4-18(15-31)5-7-20)22-13-21-8-9-24(36)25(21)23(30)14-22/h4-7,10,12-14,19,24,36H,2-3,8-9,11,16-17H2,1H3/t19-,24?/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay-10 μL of 1 nM LSD-1 enzyme (ENZO BML-SE544-0050) in the assay buffer (50 mM Tris, pH 7.5, 0.01% Tween-20, 25 ...


US Patent US10112950 (2018)


BindingDB Entry DOI: 10.7270/Q2HT2RCB
More data for this
Ligand-Target Pair
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