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USPatent US9695168

Compile data set for download or QSAR
Found 158 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 [151-852]


(Homo sapiens (Human))		BDBM103890
PNG
(US10047086, 4 | US10640503, Example 4 | US9695168,...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(C#N)c(F)c1 |r|
Show InChI InChI=1S/C26H23FN4O/c1-17-2-4-19(5-3-17)26-22(20-6-7-21(12-28)23(27)10-20)11-25(24-14-30-16-31(24)26)32-15-18-8-9-29-13-18/h2-7,10-11,14,16,18,29H,8-9,13,15H2,1H3/t18-/m1/s1
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Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104019
PNG
(US10047086, 20 | US10640503, Example 20 | US969516...)
Show SMILES CN1CC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3cncc23)C1 |r|
Show InChI InChI=1S/C27H26N4O/c1-19-3-7-23(8-4-19)27-24(22-9-5-20(14-28)6-10-22)13-26(25-15-29-18-31(25)27)32-17-21-11-12-30(2)16-21/h3-10,13,15,18,21H,11-12,16-17H2,1-2H3/t21-/m1/s1
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US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104116
PNG
(US10047086, 34 | US10640503, Example 34 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4scnc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C27H24N6OS/c1-32-10-2-3-19(14-32)15-34-27-23-13-29-16-33(23)26(21-8-9-24-22(11-21)30-17-35-24)25(31-27)20-6-4-18(12-28)5-7-20/h4-9,11,13,16-17,19H,2-3,10,14-15H2,1H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104117
PNG
(US10047086, 35 | US10640503, Example 35 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4sc(C)nc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H26N6OS/c1-18-31-23-12-22(9-10-25(23)36-18)27-26(21-7-5-19(13-29)6-8-21)32-28(24-14-30-17-34(24)27)35-16-20-4-3-11-33(2)15-20/h5-10,12,14,17,20H,3-4,11,15-16H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104119
PNG
(US10047086, 37 | US10640503, Example 37 | US969516...)
Show SMILES Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CCO)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H28N8O2/c1-34-27-23(14-32-34)11-22(13-31-27)26-25(21-6-4-19(12-29)5-7-21)33-28(24-15-30-18-36(24)26)38-17-20-3-2-8-35(16-20)9-10-37/h4-7,11,13-15,18,20,37H,2-3,8-10,16-17H2,1H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104160
PNG
(US10047086, 43 | US10640503, Example 43 | US969516...)
Show SMILES COc1ncc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C26H25FN6O2/c1-32-9-3-4-18(14-32)15-35-26-22-13-29-16-33(22)24(20-10-21(27)25(34-2)30-12-20)23(31-26)19-7-5-17(11-28)6-8-19/h5-8,10,12-13,16,18H,3-4,9,14-15H2,1-2H3/t18-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104161
PNG
(US10640503, Example 44 | US9695168, 44)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H28FN5O2/c1-18-10-22(11-24(29)23(18)15-35)27-26(21-7-5-19(12-30)6-8-21)32-28(25-13-31-17-34(25)27)36-16-20-4-3-9-33(2)14-20/h5-8,10-11,13,17,20,35H,3-4,9,14-16H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105170
PNG
(US10047086, 70 | US10640503, Example 70 | US969516...)
Show SMILES COc1ncc(cc1F)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C27H26FN5O2/c1-32-9-3-4-19(15-32)16-35-25-11-22(20-7-5-18(12-29)6-8-20)26(33-17-30-14-24(25)33)21-10-23(28)27(34-2)31-13-21/h5-8,10-11,13-14,17,19H,3-4,9,15-16H2,1-2H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105508
PNG
(US10047086, 73 | US10640503, Example 73 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(F)c(CO)c(F)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H26F2N4O2/c1-33-8-2-3-19(14-33)16-36-27-11-22(20-6-4-18(12-31)5-7-20)28(34-17-32-13-26(27)34)21-9-24(29)23(15-35)25(30)10-21/h4-7,9-11,13,17,19,35H,2-3,8,14-16H2,1H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105512
PNG
(US10047086, 74 | US10640503, Example 74 | US969516...)
Show SMILES COC(=O)N(C)c1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H30N6O3/c1-33-12-4-5-21(17-33)18-38-26-13-24(22-8-6-20(14-30)7-9-22)28(35-19-31-16-25(26)35)23-10-11-27(32-15-23)34(2)29(36)37-3/h6-11,13,15-16,19,21H,4-5,12,17-18H2,1-3H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105514
PNG
(US10047086, 76 | US10640503, Example 76 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(O)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C27H27N5O2/c1-18-25(33)10-22(13-30-18)27-23(21-7-5-19(12-28)6-8-21)11-26(24-14-29-17-32(24)27)34-16-20-4-3-9-31(2)15-20/h5-8,10-11,13-14,17,20,33H,3-4,9,15-16H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105526
PNG
(US10047086, 79 | US10640503, Example 79 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(CO)c(C)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H30N4O2/c1-20-12-24(9-10-25(20)17-34)29-26(23-7-5-21(14-30)6-8-23)13-28(27-15-31-19-33(27)29)35-18-22-4-3-11-32(2)16-22/h5-10,12-13,15,19,22,34H,3-4,11,16-18H2,1-2H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105555
PNG
(US10047086, 93 | US10640503, Example 93 | US969516...)
Show SMILES COc1ncc(cc1C)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H29N7O/c1-18-13-21(15-30-27(18)35-4)25-24(20-7-5-19(14-28)6-8-20)31-26(23-16-29-17-34(23)25)33-11-9-22(10-12-33)32(2)3/h5-8,13,15-17,22H,9-12H2,1-4H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105561
PNG
(US10047086, 96 | US10640503, Example 96 | US969516...)
Show SMILES COC(=O)N(C)c1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C28H30N8O2/c1-33(2)22-11-13-35(14-12-22)27-23-17-30-18-36(23)26(25(32-27)20-7-5-19(15-29)6-8-20)21-9-10-24(31-16-21)34(3)28(37)38-4/h5-10,16-18,22H,11-14H2,1-4H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105563
PNG
(US10047086, 97 | US10640503, Example 97 | US969516...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(F)c2)n2cncc12
Show InChI InChI=1S/C26H26FN7/c1-17-22(27)12-20(14-30-17)25-24(19-6-4-18(13-28)5-7-19)31-26(23-15-29-16-34(23)25)33-10-8-21(9-11-33)32(2)3/h4-7,12,14-16,21H,8-11H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105566
PNG
(US10047086, 99 | US10640503, Example 99 | US969516...)
Show SMILES CCOc1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H29N7O/c1-4-35-24-10-9-21(16-30-24)26-25(20-7-5-19(15-28)6-8-20)31-27(23-17-29-18-34(23)26)33-13-11-22(12-14-33)32(2)3/h5-10,16-18,22H,4,11-14H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105736
PNG
(US10047086, 126 | US10640503, Example 126 | US9695...)
Show SMILES CC(O)c1c(C)cc(cc1F)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C30H31FN4O2/c1-19-11-24(12-26(31)29(19)20(2)36)30-25(23-8-6-21(14-32)7-9-23)13-28(27-15-33-18-35(27)30)37-17-22-5-4-10-34(3)16-22/h6-9,11-13,15,18,20,22,36H,4-5,10,16-17H2,1-3H3/t20?,22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105777
PNG
(US10047086, 130 | US10640503, Example 130 | US9695...)
Show SMILES COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H33N5O2/c1-21-13-26(16-33-22(21)2)30-27(25-8-6-23(15-31)7-9-25)14-29(28-17-32-20-35(28)30)37-19-24-5-4-10-34(18-24)11-12-36-3/h6-9,13-14,16-17,20,24H,4-5,10-12,18-19H2,1-3H3/t24-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM106070
PNG
(US10047086, 153 | US10640503, Example 153 | US9695...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(C)nc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H30N6O/c1-20-33-26-13-24(10-11-27(26)35(20)3)30-25(23-8-6-21(15-31)7-9-23)14-29(28-16-32-19-36(28)30)37-18-22-5-4-12-34(2)17-22/h6-11,13-14,16,19,22H,4-5,12,17-18H2,1-3H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103901
PNG
(US10047086, 15 | US10640503, Example 15 | US969516...)
Show SMILES CN1CCOc2ccc(cc12)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H27N5O2/c1-32-10-11-34-26-7-6-22(12-24(26)32)28-23(21-4-2-19(14-29)3-5-21)13-27(25-16-31-18-33(25)28)35-17-20-8-9-30-15-20/h2-7,12-13,16,18,20,30H,8-11,15,17H2,1H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104928
PNG
(US10047086, 57 | US10640503, Example 57 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)c(=O)oc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H26N6O3/c1-32-9-3-4-19(15-32)16-36-24-11-22(20-7-5-18(12-29)6-8-20)26(34-17-30-14-23(24)34)21-10-25-27(31-13-21)33(2)28(35)37-25/h5-8,10-11,13-14,17,19H,3-4,9,15-16H2,1-2H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105055
PNG
(US10047086, 62 | US10640503, Example 62 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCOc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H27N5O3/c1-32-8-2-3-20(16-32)17-36-25-12-23(21-6-4-19(13-29)5-7-21)27(33-18-30-15-24(25)33)22-11-26-28(31-14-22)35-10-9-34-26/h4-7,11-12,14-15,18,20H,2-3,8-10,16-17H2,1H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105531
PNG
(US10047086, 81 | US10640503, Example 81 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H29N5O/c1-19-11-24(14-31-20(19)2)28-25(23-8-6-21(13-29)7-9-23)12-27(26-15-30-18-33(26)28)34-17-22-5-4-10-32(3)16-22/h6-9,11-12,14-15,18,22H,4-5,10,16-17H2,1-3H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105573
PNG
(US10047086, 100 | US10640503, Example 100 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)ncc3c2)n2cncc12
Show InChI InChI=1S/C28H28N8/c1-33(2)23-10-12-35(13-11-23)28-25-17-30-18-36(25)27(21-8-9-24-22(14-21)16-31-34(24)3)26(32-28)20-6-4-19(15-29)5-7-20/h4-9,14,16-18,23H,10-13H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105589
PNG
(US10047086, 107 | US10640503, Example 107 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)cnc3c2)n2cncc12
Show InChI InChI=1S/C27H27N9/c1-33(2)21-8-10-35(11-9-21)27-23-15-29-16-36(23)25(20-12-22-26(30-14-20)34(3)17-31-22)24(32-27)19-6-4-18(13-28)5-7-19/h4-7,12,14-17,21H,8-11H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105764
PNG
(US10047086, 129 | US10640503, Example 129 | US9695...)
Show SMILES COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C31H33FN4O3/c1-21-12-25(13-28(32)27(21)18-37)31-26(24-7-5-22(15-33)6-8-24)14-30(29-16-34-20-36(29)31)39-19-23-4-3-9-35(17-23)10-11-38-2/h5-8,12-14,16,20,23,37H,3-4,9-11,17-19H2,1-2H3/t23-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105879
PNG
(US10047086, 138 | US10640503, Example 138 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cc(F)c3n(C)c(=O)n(C)c3c2)n2cncc12
Show InChI InChI=1S/C29H29FN8O/c1-34(2)21-9-11-37(12-10-21)28-24-16-32-17-38(24)26(25(33-28)19-7-5-18(15-31)6-8-19)20-13-22(30)27-23(14-20)35(3)29(39)36(27)4/h5-8,13-14,16-17,21H,9-12H2,1-4H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105901
PNG
(US10047086, 142 | US10640503, Example 142 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(CO)c2)n2cncc12
Show InChI InChI=1S/C27H29N7O/c1-18-22(16-35)12-21(14-30-18)26-25(20-6-4-19(13-28)5-7-20)31-27(24-15-29-17-34(24)26)33-10-8-23(9-11-33)32(2)3/h4-7,12,14-15,17,23,35H,8-11,16H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105913
PNG
(US10047086, 144 | US10640503, Example 144 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3ccccc3c2)n2cncc12
Show InChI InChI=1S/C29H27N7/c1-34(2)24-11-13-35(14-12-24)29-26-18-31-19-36(26)28(23-15-22-5-3-4-6-25(22)32-17-23)27(33-29)21-9-7-20(16-30)8-10-21/h3-10,15,17-19,24H,11-14H2,1-2H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM106012
PNG
(US10047086, 148 | US10640503, Example 148 | US9695...)
Show SMILES COc1ncc(cc1C#N)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H26N8O/c1-33(2)22-8-10-34(11-9-22)26-23-16-30-17-35(23)25(21-12-20(14-29)27(36-3)31-15-21)24(32-26)19-6-4-18(13-28)5-7-19/h4-7,12,15-17,22H,8-11H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM106019
PNG
(US10047086, 149 | US10640503, Example 149 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(CO)c(C)c2)n2cncc12
Show InChI InChI=1S/C28H30N6O/c1-19-14-22(8-9-23(19)17-35)27-26(21-6-4-20(15-29)5-7-21)31-28(25-16-30-18-34(25)27)33-12-10-24(11-13-33)32(2)3/h4-9,14,16,18,24,35H,10-13,17H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103894
PNG
(US10047086, 8 | US10640503, Example 8 | US9695168,...)
Show SMILES Cc1ccc(c(F)c1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r,wD:14.14,(-6.52,-4.23,;-5.19,-3.46,;-5.19,-1.93,;-3.85,-1.15,;-2.52,-1.93,;-2.52,-3.46,;-1.18,-4.23,;-3.85,-4.23,;-1.18,-1.15,;-1.18,.38,;.15,1.15,;1.48,.38,;2.82,1.15,;4.15,.38,;5.48,1.15,;5.48,2.69,;6.95,3.17,;7.85,1.93,;6.95,.68,;1.48,-1.15,;2.63,-2.19,;2,-3.59,;.47,-3.43,;.15,-1.93,;-2.52,1.15,;-2.52,2.69,;-3.85,3.47,;-5.23,2.72,;-5.19,1.15,;-3.85,.38,;-6.57,3.49,;-7.9,4.26,)|
Show InChI InChI=1S/C26H23FN4O/c1-17-2-7-21(23(27)10-17)26-22(20-5-3-18(12-28)4-6-20)11-25(24-14-30-16-31(24)26)32-15-19-8-9-29-13-19/h2-7,10-11,14,16,19,29H,8-9,13,15H2,1H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103897
PNG
(US10047086, 11 | US10640503, Example 11 | US969516...)
Show SMILES Cn1ncc2cc(ccc12)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C27H24N6O/c1-32-24-7-6-21(10-22(24)14-31-32)27-23(20-4-2-18(12-28)3-5-20)11-26(25-15-30-17-33(25)27)34-16-19-8-9-29-13-19/h2-7,10-11,14-15,17,19,29H,8-9,13,16H2,1H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104042
PNG
(US10047086, 23 | US10640503, Example 23 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)ncc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H27N7O/c1-33-11-3-4-20(16-33)17-36-28-25-15-30-18-35(25)27(22-9-10-24-23(12-22)14-31-34(24)2)26(32-28)21-7-5-19(13-29)6-8-21/h5-10,12,14-15,18,20H,3-4,11,16-17H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105532
PNG
(US10047086, 82 | US10640503, Example 82 | US969516...)
Show SMILES CN(C)C(=O)N(C)Cc1ccc(cc1F)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C32H35FN6O2/c1-36(2)32(40)38(4)19-26-12-11-25(14-28(26)33)31-27(24-9-7-22(16-34)8-10-24)15-30(29-17-35-21-39(29)31)41-20-23-6-5-13-37(3)18-23/h7-12,14-15,17,21,23H,5-6,13,18-20H2,1-4H3/t23-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105539
PNG
(US10047086, 85 | US10640503, Example 85 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ccc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H27N7O/c1-33-10-3-4-20(16-33)17-36-28-24-15-30-18-35(24)26(23-12-22-9-11-34(2)27(22)31-14-23)25(32-28)21-7-5-19(13-29)6-8-21/h5-9,11-12,14-15,18,20H,3-4,10,16-17H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105551
PNG
(US10047086, 90 | US10640503, Example 90 | US969516...)
Show SMILES COc1ncc(cc1F)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H26FN7O/c1-32(2)20-8-10-33(11-9-20)25-22-15-29-16-34(22)24(19-12-21(27)26(35-3)30-14-19)23(31-25)18-6-4-17(13-28)5-7-18/h4-7,12,14-16,20H,8-11H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105586
PNG
(US10047086, 105 | US9695168, 105)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3N(C)C(=O)COc3c2)n2cncc12
Show InChI InChI=1S/C28H28N8O2/c1-33(2)21-8-10-35(11-9-21)27-22-15-30-17-36(22)26(25(32-27)19-6-4-18(13-29)5-7-19)20-12-23-28(31-14-20)34(3)24(37)16-38-23/h4-7,12,14-15,17,21H,8-11,16H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105877
PNG
(US10047086, 136 | US10640503, Example 136 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3CC(O)Cc3c2)n2cncc12
Show InChI InChI=1S/C29H30N6O/c1-33(2)24-9-11-34(12-10-24)29-26-17-31-18-35(26)28(22-8-7-21-14-25(36)15-23(21)13-22)27(32-29)20-5-3-19(16-30)4-6-20/h3-8,13,17-18,24-25,36H,9-12,14-15H2,1-2H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103887
PNG
(US10047086, 1 | US10640503, Example 1 | US9695168,...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C26H24N4O/c1-18-2-6-22(7-3-18)26-23(21-8-4-19(13-27)5-9-21)12-25(24-15-29-17-30(24)26)31-16-20-10-11-28-14-20/h2-9,12,15,17,20,28H,10-11,14,16H2,1H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104075
PNG
(US10047086, 28 | US10640503, Example 28 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)cnc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H27N7O/c1-33-11-3-4-20(15-33)16-36-28-25-14-30-17-35(25)27(22-9-10-24-23(12-22)31-18-34(24)2)26(32-28)21-7-5-19(13-29)6-8-21/h5-10,12,14,17-18,20H,3-4,11,15-16H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104983
PNG
(US10047086, 58 | US10640503, Example 58 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)cnc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H27N7O/c1-33-9-3-4-20(15-33)16-36-26-11-23(21-7-5-19(12-29)6-8-21)27(35-17-30-14-25(26)35)22-10-24-28(31-13-22)34(2)18-32-24/h5-8,10-11,13-14,17-18,20H,3-4,9,15-16H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105507
PNG
(US10047086, 72 | US10640503, Example 72 | US969516...)
Show SMILES COc1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C27H27N5O2/c1-31-11-3-4-20(16-31)17-34-25-12-23(21-7-5-19(13-28)6-8-21)27(32-18-29-15-24(25)32)22-9-10-26(33-2)30-14-22/h5-10,12,14-15,18,20H,3-4,11,16-17H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105535
PNG
(US10047086, 84 | US10640503, Example 84 | US969516...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ccc3c2)n2cncc12
Show InChI InChI=1S/C28H28N8/c1-33(2)23-9-12-35(13-10-23)28-24-17-30-18-36(24)26(22-14-21-8-11-34(3)27(21)31-16-22)25(32-28)20-6-4-19(15-29)5-7-20/h4-8,11,14,16-18,23H,9-10,12-13H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105564
PNG
(US10047086, 98 | US10640503, Example 98 | US969516...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(OC(F)F)nc2)n2cncc12
Show InChI InChI=1S/C26H25F2N7O/c1-33(2)20-9-11-34(12-10-20)25-21-15-30-16-35(21)24(19-7-8-22(31-14-19)36-26(27)28)23(32-25)18-5-3-17(13-29)4-6-18/h3-8,14-16,20,26H,9-12H2,1-2H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105600
PNG
(US10047086, 113 | US10640503, Example 113 | US9695...)
Show SMILES CN(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2cc3oc(=O)n(C)c3cc2F)n2cncc12 |r,wU:3.2,(5.05,5.51,;6.14,4.42,;7.63,4.82,;5.75,2.93,;6.65,1.69,;5.75,.44,;4.28,.92,;4.28,2.46,;2.95,.15,;1.61,.92,;.28,.15,;-1.05,.92,;-1.05,2.46,;-2.39,3.23,;-3.72,2.46,;-3.72,.92,;-2.39,.15,;-5.06,3.23,;-6.39,4,;.28,-1.39,;-1.05,-2.16,;-2.39,-1.39,;-3.72,-2.16,;-5.19,-1.69,;-6.09,-2.93,;-7.63,-2.93,;-5.19,-4.18,;-5.96,-5.51,;-3.72,-3.7,;-2.39,-4.47,;-1.05,-3.7,;.28,-4.47,;1.61,-2.16,;1.93,-3.67,;3.46,-3.83,;4.09,-2.42,;2.95,-1.39,)|
Show InChI InChI=1S/C27H24FN7O2/c1-32(2)18-8-9-34(14-18)26-22-13-30-15-35(22)25(24(31-26)17-6-4-16(12-29)5-7-17)19-10-23-21(11-20(19)28)33(3)27(36)37-23/h4-7,10-11,13,15,18H,8-9,14H2,1-3H3/t18-/m0/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105653
PNG
(US10047086, 116 | US10640503, Example 116 | US9695...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4N(C)CCOc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H30N6O2/c1-33-9-3-4-21(17-33)18-37-26-13-24(22-7-5-20(14-30)6-8-22)28(35-19-31-16-25(26)35)23-12-27-29(32-15-23)34(2)10-11-36-27/h5-8,12-13,15-16,19,21H,3-4,9-11,17-18H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105686
PNG
(US10047086, 121 | US10640503, Example 121 | US9695...)
Show SMILES COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H29N5O3/c1-36-12-10-34-9-2-3-22(18-34)19-38-29-14-25(23-6-4-21(15-31)5-7-23)30(35-20-32-17-27(29)35)24-13-28-26(33-16-24)8-11-37-28/h4-8,11,13-14,16-17,20,22H,2-3,9-10,12,18-19H2,1H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105695
PNG
(US10047086, 123 | US10640503, Example 123 | US9695...)
Show SMILES CC(O)c1ccc(cc1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H30N4O2/c1-20(34)23-9-11-25(12-10-23)29-26(24-7-5-21(15-30)6-8-24)14-28(27-16-31-19-33(27)29)35-18-22-4-3-13-32(2)17-22/h5-12,14,16,19-20,22,34H,3-4,13,17-18H2,1-2H3/t20?,22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103891
PNG
(US10047086, 5 | US10640503, Example 5 | US9695168,...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1F)C#N |r|
Show InChI InChI=1S/C26H23FN4O/c1-17-2-5-20(6-3-17)26-22(21-7-4-18(12-28)10-23(21)27)11-25(24-14-30-16-31(24)26)32-15-19-8-9-29-13-19/h2-7,10-11,14,16,19,29H,8-9,13,15H2,1H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104015
PNG
(US10047086, 18 | US10640503, Example 18 | US969516...)
Show SMILES N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1ccc(CCN2CCOCC2)cc1 |r|
Show InChI InChI=1S/C31H33N5O2/c32-18-24-3-5-26(6-4-24)28-17-30(38-21-25-9-11-33-19-25)29-20-34-22-36(29)31(28)27-7-1-23(2-8-27)10-12-35-13-15-37-16-14-35/h1-8,17,20,22,25,33H,9-16,19,21H2/t25-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104112
PNG
(US10640503, Example 30 | US9695168, 30)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:5.5,(9.29,.9,;7.96,1.67,;7.96,3.21,;6.62,3.98,;5.29,3.21,;5.29,1.67,;3.96,.9,;2.62,1.67,;1.29,.9,;-.05,1.67,;-1.38,.9,;-2.71,1.67,;-2.71,3.21,;-4.05,3.98,;-5.43,3.24,;-5.38,1.67,;-4.05,.9,;-6.76,4.01,;-8.1,4.78,;-1.38,-.64,;-2.71,-1.41,;-4.05,-.64,;-5.38,-1.41,;-6.84,-.93,;-7.75,-2.18,;-9.29,-2.18,;-6.84,-3.42,;-7.61,-4.75,;-5.38,-2.95,;-4.05,-3.72,;-2.71,-2.95,;-1.38,-3.72,;-.05,-1.41,;.27,-2.91,;1.81,-3.07,;2.43,-1.67,;1.29,-.64,;6.62,.9,)|
Show InChI InChI=1S/C28H25FN6O3/c1-33-9-3-4-18(14-33)15-37-27-23-13-31-16-35(23)26(25(32-27)19-7-5-17(12-30)6-8-19)20-10-24-22(11-21(20)29)34(2)28(36)38-24/h5-8,10-11,13,16,18H,3-4,9,14-15H2,1-2H3/t18-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104118
PNG
(US10047086, 36 | US10640503, Example 36 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(C#N)c(F)c3)c(-c3cnc4n(C)ncc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C27H25FN8O/c1-34-7-3-4-17(14-34)15-37-27-23-13-30-16-36(23)25(20-8-21-12-32-35(2)26(21)31-11-20)24(33-27)18-5-6-19(10-29)22(28)9-18/h5-6,8-9,11-13,16-17H,3-4,7,14-15H2,1-2H3/t17-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104176
PNG
(US10047086, 45 | US10640503, Example 45 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(CO)c(C)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H29N5O2/c1-19-12-23(9-10-24(19)16-34)27-26(22-7-5-20(13-29)6-8-22)31-28(25-14-30-18-33(25)27)35-17-21-4-3-11-32(2)15-21/h5-10,12,14,18,21,34H,3-4,11,15-17H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104330
PNG
(US10047086, 47 | US10640503, Example 47 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc(F)c(CO)c(F)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C27H25F2N5O2/c1-33-8-2-3-18(13-33)15-36-27-24-12-31-16-34(24)26(20-9-22(28)21(14-35)23(29)10-20)25(32-27)19-6-4-17(11-30)5-7-19/h4-7,9-10,12,16,18,35H,2-3,8,13-15H2,1H3/t18-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104681
PNG
(US10047086, 51 | US10640503, Example 51 | US969516...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)oc3c2)n2cncc12
Show InChI InChI=1S/C28H27N7O2/c1-32(2)21-10-12-34(13-11-21)27-23-16-30-17-35(23)26(25(31-27)19-6-4-18(15-29)5-7-19)20-8-9-22-24(14-20)37-28(36)33(22)3/h4-9,14,16-17,21H,10-13H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105122
PNG
(US10047086, 64 | US10640503, Example 64 | US969516...)
Show SMILES CN1C(=O)Cc2cc(ccc12)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C30H29N5O2/c1-33-11-3-4-21(17-33)18-37-28-14-25(22-7-5-20(15-31)6-8-22)30(35-19-32-16-27(28)35)23-9-10-26-24(12-23)13-29(36)34(26)2/h5-10,12,14,16,19,21H,3-4,11,13,17-18H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105525
PNG
(US10047086, 78 | US10640503, Example 78 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(N4CCOCC4)c(F)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H31FN6O2/c1-35-8-2-3-22(18-35)19-39-28-14-25(23-6-4-21(15-32)5-7-23)29(37-20-33-17-27(28)37)24-13-26(31)30(34-16-24)36-9-11-38-12-10-36/h4-7,13-14,16-17,20,22H,2-3,8-12,18-19H2,1H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105543
PNG
(US10047086, 86 | US10640503, Example 86 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C27H28N6O/c1-18-11-23(13-30-19(18)2)26-25(22-8-6-20(12-28)7-9-22)31-27(24-14-29-17-33(24)26)34-16-21-5-4-10-32(3)15-21/h6-9,11,13-14,17,21H,4-5,10,15-16H2,1-3H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105557
PNG
(US10047086, 94 | US10640503, Example 94 | US969516...)
Show SMILES COC(=O)N(C)c1ccc(cc1F)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C29H30FN7O2/c1-34(2)22-11-13-36(14-12-22)28-25-17-32-18-37(25)27(26(33-28)20-7-5-19(16-31)6-8-20)21-9-10-24(23(30)15-21)35(3)29(38)39-4/h5-10,15,17-18,22H,11-14H2,1-4H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105590
PNG
(US10047086, 108 | US10640503, Example 108 | US9695...)
Show SMILES CCn1c2ccc(cc2oc1=O)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C29H29N7O2/c1-4-35-23-10-9-21(15-25(23)38-29(35)37)27-26(20-7-5-19(16-30)6-8-20)32-28(24-17-31-18-36(24)27)34-13-11-22(12-14-34)33(2)3/h5-10,15,17-18,22H,4,11-14H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105733
PNG
(US10047086, 125 | US10640503, Example 125 | US9695...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)nc3)n3cncc23)C1 |r|
Show InChI InChI=1S/C27H27N5O/c1-19-5-8-23(14-30-19)27-24(22-9-6-20(13-28)7-10-22)12-26(25-15-29-18-32(25)27)33-17-21-4-3-11-31(2)16-21/h5-10,12,14-15,18,21H,3-4,11,16-17H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105779
PNG
(US10047086, 131 | US10640503, Example 131 | US9695...)
Show SMILES CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(C)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H31N5O/c1-4-33-11-5-6-23(17-33)18-35-28-13-26(24-9-7-22(14-30)8-10-24)29(34-19-31-16-27(28)34)25-12-20(2)21(3)32-15-25/h7-10,12-13,15-16,19,23H,4-6,11,17-18H2,1-3H3/t23-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105880
PNG
(US10047086, 139 | US10640503, Example 139 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnn(c2)C2CCC2)n2cncc12
Show InChI InChI=1S/C27H30N8/c1-32(2)22-10-12-33(13-11-22)27-24-16-29-18-34(24)26(21-15-30-35(17-21)23-4-3-5-23)25(31-27)20-8-6-19(14-28)7-9-20/h6-9,15-18,22-23H,3-5,10-13H2,1-2H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103900
PNG
(US10047086, 14 | US10640503, Example 14 | US969516...)
Show SMILES CN1CCOc2cc(ccc12)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H27N5O2/c1-32-10-11-34-26-12-22(6-7-24(26)32)28-23(21-4-2-19(14-29)3-5-21)13-27(25-16-31-18-33(25)28)35-17-20-8-9-30-15-20/h2-7,12-13,16,18,20,30H,8-11,15,17H2,1H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103988
PNG
(US10047086, 16 | US10640503, Example 16 | US969516...)
Show SMILES N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1ccc2OCCOc2c1 |r|
Show InChI InChI=1S/C27H24N4O3/c28-13-18-1-3-20(4-2-18)22-12-25(34-16-19-7-8-29-14-19)23-15-30-17-31(23)27(22)21-5-6-24-26(11-21)33-10-9-32-24/h1-6,11-12,15,17,19,29H,7-10,14,16H2/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104111
PNG
(US10047086, 29 | US10640503, Example 29 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4N(C)CCOc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H29N7O2/c1-33-9-3-4-20(16-33)17-37-28-23-15-30-18-35(23)26(25(32-28)21-7-5-19(13-29)6-8-21)22-12-24-27(31-14-22)34(2)10-11-36-24/h5-8,12,14-15,18,20H,3-4,9-11,16-17H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104120
PNG
(US10047086, 38 | US10640503, Example 38 | US969516...)
Show SMILES Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CCC#N)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H27N9O/c1-36-28-24(15-34-36)12-23(14-33-28)27-26(22-7-5-20(13-31)6-8-22)35-29(25-16-32-19-38(25)27)39-18-21-4-2-10-37(17-21)11-3-9-30/h5-8,12,14-16,19,21H,2-4,10-11,17-18H2,1H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104122
PNG
(US10047086, 40 | US10640503, Example 40 | US969516...)
Show SMILES COCCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H30N8O2/c1-35-28-24(15-33-35)12-23(14-32-28)27-26(22-7-5-20(13-30)6-8-22)34-29(25-16-31-19-37(25)27)39-18-21-4-3-9-36(17-21)10-11-38-2/h5-8,12,14-16,19,21H,3-4,9-11,17-18H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104159
PNG
(US10047086, 42 | US10640503, Example 42 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)c(CO)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H29N5O2/c1-19-5-8-23(12-24(19)16-34)27-26(22-9-6-20(13-29)7-10-22)31-28(25-14-30-18-33(25)27)35-17-21-4-3-11-32(2)15-21/h5-10,12,14,18,21,34H,3-4,11,15-17H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104678
PNG
(US10640503, Example 50 | US9695168, 50)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3n(C)ncc3c2)n2cncc12
Show InChI InChI=1S/C27H27N9/c1-33(2)22-8-10-35(11-9-22)27-23-16-29-17-36(23)25(20-12-21-15-31-34(3)26(21)30-14-20)24(32-27)19-6-4-18(13-28)5-7-19/h4-7,12,14-17,22H,8-11H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104918
PNG
(US10047086, 53 | US10640503, Example 53 | US969516...)
Show SMILES COc1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H27N7O/c1-31(2)21-10-12-32(13-11-21)26-22-16-28-17-33(22)25(20-8-9-23(34-3)29-15-20)24(30-26)19-6-4-18(14-27)5-7-19/h4-9,15-17,21H,10-13H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104923
PNG
(US10047086, 54 | US10640503, Example 54 | US969516...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(nc2)N2CCCC2=O)n2cncc12
Show InChI InChI=1S/C29H30N8O/c1-34(2)23-11-14-35(15-12-23)29-24-18-31-19-37(24)28(27(33-29)21-7-5-20(16-30)6-8-21)22-9-10-25(32-17-22)36-13-3-4-26(36)38/h5-10,17-19,23H,3-4,11-15H2,1-2H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105087
PNG
(US10047086, 63 | US10640503, Example 63 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H27N5O3/c1-32-11-3-4-20(16-32)17-36-26-13-23(21-7-5-19(14-30)6-8-21)28(34-18-31-15-25(26)34)22-9-10-24-27(12-22)37-29(35)33(24)2/h5-10,12-13,15,18,20H,3-4,11,16-17H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105127
PNG
(US10047086, 65 | US10640503, Example 65 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)COc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H29N5O3/c1-33-11-3-4-21(16-33)17-37-28-13-24(22-7-5-20(14-31)6-8-22)30(35-19-32-15-26(28)35)23-9-10-25-27(12-23)38-18-29(36)34(25)2/h5-10,12-13,15,19,21H,3-4,11,16-18H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105533
PNG
(US10047086, 83 | US10640503, Example 83 | US969516...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)cnc3c2)n2cncc12
Show InChI InChI=1S/C28H28N8/c1-33(2)22-10-12-35(13-11-22)28-25-16-30-17-36(25)27(21-8-9-24-23(14-21)31-18-34(24)3)26(32-28)20-6-4-19(15-29)5-7-20/h4-9,14,16-18,22H,10-13H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105576
PNG
(US10047086, 102 | US10640503, Example 102 | US9695...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(C#N)c(F)c3)c(-c3ccc4N(C)C(=O)CCc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H29FN6O2/c1-35-11-3-4-19(16-35)17-39-30-26-15-33-18-37(26)29(28(34-30)21-5-6-23(14-32)24(31)13-21)22-7-9-25-20(12-22)8-10-27(38)36(25)2/h5-7,9,12-13,15,18-19H,3-4,8,10-11,16-17H2,1-2H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105577
PNG
(US10047086, 103 | US10640503, Example 103 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3nccnc3c2)n2cncc12
Show InChI InChI=1S/C28H26N8/c1-34(2)22-9-13-35(14-10-22)28-25-17-30-18-36(25)27(21-7-8-23-24(15-21)32-12-11-31-23)26(33-28)20-5-3-19(16-29)4-6-20/h3-8,11-12,15,17-18,22H,9-10,13-14H2,1-2H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105587
PNG
(US10047086, 106 | US10640503, Example 106 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)OCc3c2)n2cncc12
Show InChI InChI=1S/C29H29N7O2/c1-33(2)23-10-12-35(13-11-23)28-25-16-31-18-36(25)27(26(32-28)20-6-4-19(15-30)5-7-20)21-8-9-24-22(14-21)17-38-29(37)34(24)3/h4-9,14,16,18,23H,10-13,17H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105611
PNG
(US10047086, 114 | US10640503, Example 114 | US9695...)
Show SMILES CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)Cc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C31H31N5O2/c1-3-35-12-4-5-22(18-35)19-38-29-15-26(23-8-6-21(16-32)7-9-23)31(36-20-33-17-28(29)36)24-10-11-27-25(13-24)14-30(37)34(27)2/h6-11,13,15,17,20,22H,3-5,12,14,18-19H2,1-2H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105672
PNG
(US10047086, 120 | US10640503, Example 120 | US9695...)
Show SMILES CC(O)CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4nccnc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C31H30N6O2/c1-21(38)17-36-12-2-3-23(18-36)19-39-30-14-26(24-6-4-22(15-32)5-7-24)31(37-20-33-16-29(30)37)25-8-9-27-28(13-25)35-11-10-34-27/h4-11,13-14,16,20-21,23,38H,2-3,12,17-19H2,1H3/t21?,23-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105760
PNG
(US10047086, 127 | US10640503, Example 127 | US9695...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(F)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C27H26FN5O/c1-18-24(28)10-22(13-31-18)27-23(21-7-5-19(12-29)6-8-21)11-26(25-14-30-17-33(25)27)34-16-20-4-3-9-32(2)15-20/h5-8,10-11,13-14,17,20H,3-4,9,15-16H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105878
PNG
(US10047086, 137 | US10640503, Example 137 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)CCc3c2)n2cncc12
Show InChI InChI=1S/C30H31N7O/c1-34(2)24-12-14-36(15-13-24)30-26-18-32-19-37(26)29(28(33-30)21-6-4-20(17-31)5-7-21)23-8-10-25-22(16-23)9-11-27(38)35(25)3/h4-8,10,16,18-19,24H,9,11-15H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105905
PNG
(US10047086, 143 | US10640503, Example 143 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(nc3c2)C(F)F)n2cncc12
Show InChI InChI=1S/C29H28F2N8/c1-36(2)21-10-12-38(13-11-21)28-24-16-33-17-39(24)26(25(35-28)19-6-4-18(15-32)5-7-19)20-8-9-23-22(14-20)34-29(27(30)31)37(23)3/h4-9,14,16-17,21,27H,10-13H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103889
PNG
(US10047086, 3 | US10640503, Example 3 | US9695168,...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)[N+]([O-])=O |r|
Show InChI InChI=1S/C25H24N4O3/c1-17-2-4-20(5-3-17)25-22(19-6-8-21(9-7-19)29(30)31)12-24(23-14-27-16-28(23)25)32-15-18-10-11-26-13-18/h2-9,12,14,16,18,26H,10-11,13,15H2,1H3/t18-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103895
PNG
(US10047086, 9 | US10640503, Example 9 | US9695168,...)
Show SMILES CCC1CCC(=CC1)c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r,c:5|
Show InChI InChI=1S/C27H30N4O/c1-2-19-3-9-23(10-4-19)27-24(22-7-5-20(14-28)6-8-22)13-26(25-16-30-18-31(25)27)32-17-21-11-12-29-15-21/h5-9,13,16,18-19,21,29H,2-4,10-12,15,17H2,1H3/t19?,21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103898
PNG
(US10047086, 12 | US10640503, Example 12 | US969516...)
Show SMILES CN1C(=O)Cc2cc(ccc12)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H25N5O2/c1-32-24-7-6-21(10-22(24)11-27(32)34)28-23(20-4-2-18(13-29)3-5-20)12-26(25-15-31-17-33(25)28)35-16-19-8-9-30-14-19/h2-7,10,12,15,17,19,30H,8-9,11,14,16H2,1H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104351
PNG
(US10047086, 48 | US10640503, Example 48 | US969516...)
Show SMILES COC(=O)N(C)Cc1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C30H31FN6O3/c1-35-12-4-5-21(16-35)18-40-29-26-15-33-19-37(26)28(27(34-29)22-8-6-20(14-32)7-9-22)23-10-11-24(25(31)13-23)17-36(2)30(38)39-3/h6-11,13,15,19,21H,4-5,12,16-18H2,1-3H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104926
PNG
(US10047086, 56 | US10640503, Example 56 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc4nccnc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H26N6O/c1-34-12-2-3-21(17-34)18-36-28-14-24(22-6-4-20(15-30)5-7-22)29(35-19-31-16-27(28)35)23-8-9-25-26(13-23)33-11-10-32-25/h4-11,13-14,16,19,21H,2-3,12,17-18H2,1H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105136
PNG
(US10047086, 67 | US10640503, Example 67 | US969516...)
Show SMILES CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCOc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H29N5O3/c1-2-33-9-3-4-21(17-33)18-37-26-13-24(22-7-5-20(14-30)6-8-22)28(34-19-31-16-25(26)34)23-12-27-29(32-15-23)36-11-10-35-27/h5-8,12-13,15-16,19,21H,2-4,9-11,17-18H2,1H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105513
PNG
(US10047086, 75 | US10640503, Example 75 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H29FN4O2/c1-19-10-23(11-26(30)25(19)16-35)29-24(22-7-5-20(13-31)6-8-22)12-28(27-14-32-18-34(27)29)36-17-21-4-3-9-33(2)15-21/h5-8,10-12,14,18,21,35H,3-4,9,15-17H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105530
PNG
(US10047086, 80 | US10640503, Example 80 | US969516...)
Show SMILES CN(C)c1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H30N6O/c1-32(2)27-11-10-23(15-31-27)28-24(22-8-6-20(14-29)7-9-22)13-26(25-16-30-19-34(25)28)35-18-21-5-4-12-33(3)17-21/h6-11,13,15-16,19,21H,4-5,12,17-18H2,1-3H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105550
PNG
(US10047086, 89 | US10640503, Example 89 | US969516...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(C)c2)n2cncc12
Show InChI InChI=1S/C27H29N7/c1-18-13-22(15-30-19(18)2)26-25(21-7-5-20(14-28)6-8-21)31-27(24-16-29-17-34(24)26)33-11-9-23(10-12-33)32(3)4/h5-8,13,15-17,23H,9-12H2,1-4H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105552
PNG
(US10047086, 91 | US10640503, Example 91 | US969516...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)c(CO)c2)n2cncc12
Show InChI InChI=1S/C28H30N6O/c1-19-4-7-22(14-23(19)17-35)27-26(21-8-5-20(15-29)6-9-21)31-28(25-16-30-18-34(25)27)33-12-10-24(11-13-33)32(2)3/h4-9,14,16,18,24,35H,10-13,17H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105553
PNG
(US10047086, 92 | US10640503, Example 92 | US969516...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2CO)n2cncc12 |(8,3.08,;6.67,3.85,;6.67,5.39,;5.33,3.08,;5.33,1.54,;4,.77,;2.67,1.54,;2.67,3.08,;4,3.85,;1.33,.77,;,1.54,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-4,.77,;-6.67,3.85,;-8,4.62,;-1.33,-.77,;-2.67,-1.54,;-4,-.77,;-5.33,-1.54,;-5.33,-3.08,;-6.67,-3.85,;-4,-3.85,;-2.67,-3.08,;-1.33,-3.85,;-1.33,-5.39,;,-1.54,;.32,-3.05,;1.85,-3.21,;2.48,-1.8,;1.33,-.77,)|
Show InChI InChI=1S/C28H30N6O/c1-19-4-9-24(22(14-19)17-35)27-26(21-7-5-20(15-29)6-8-21)31-28(25-16-30-18-34(25)27)33-12-10-23(11-13-33)32(2)3/h4-9,14,16,18,23,35H,10-13,17H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105591
PNG
(US10047086, 109 | US10640503, Example 109 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)n(C)c3c2F)n2cncc12 |(8,3.81,;6.67,4.58,;6.67,6.12,;5.33,3.81,;5.33,2.27,;4,1.5,;2.67,2.27,;2.67,3.81,;4,4.58,;1.33,1.5,;,2.27,;-1.33,1.5,;-2.67,2.27,;-2.67,3.81,;-4,4.58,;-5.33,3.81,;-5.33,2.27,;-4,1.5,;-6.67,4.58,;-8,5.35,;-1.33,-.04,;-2.67,-.81,;-4,-.04,;-5.33,-.81,;-5.33,-2.35,;-6.48,-3.38,;-7.97,-2.98,;-5.85,-4.79,;-6.62,-6.12,;-4.32,-4.63,;-3.23,-5.71,;-4,-3.12,;-2.67,-2.35,;-1.33,-3.12,;,-.81,;.32,-2.32,;1.85,-2.48,;2.48,-1.07,;1.33,-.04,)|
Show InChI InChI=1S/C29H29FN8O/c1-34(2)20-11-13-37(14-12-20)28-23-16-32-17-38(23)26(25(33-28)19-7-5-18(15-31)6-8-19)21-9-10-22-27(24(21)30)36(4)29(39)35(22)3/h5-10,16-17,20H,11-14H2,1-4H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105597
PNG
(US10047086, 111 | US10640503, Example 111 | US9695...)
Show SMILES CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cc4oc(=O)n(C)c4cc3F)n3cncc23)C1 |r,wD:6.6,(9.96,1.67,;8.62,.9,;7.29,1.67,;7.29,3.21,;5.96,3.98,;4.62,3.21,;4.62,1.67,;3.29,.9,;1.95,1.67,;.62,.9,;-.71,1.67,;-2.05,.9,;-3.38,1.67,;-3.38,3.21,;-4.71,3.98,;-6.05,3.21,;-6.05,1.67,;-4.71,.9,;-7.38,3.98,;-8.71,4.75,;-2.05,-.64,;-3.38,-1.41,;-4.71,-.64,;-6.05,-1.41,;-7.51,-.93,;-8.42,-2.18,;-9.96,-2.18,;-7.51,-3.42,;-8.28,-4.75,;-6.05,-2.95,;-4.71,-3.72,;-3.38,-2.95,;-2.05,-3.72,;-.71,-1.41,;-.39,-2.91,;1.14,-3.07,;1.77,-1.67,;.62,-.64,;5.96,.9,)|
Show InChI InChI=1S/C29H27FN6O3/c1-3-35-10-4-5-19(15-35)16-38-28-24-14-32-17-36(24)27(26(33-28)20-8-6-18(13-31)7-9-20)21-11-25-23(12-22(21)30)34(2)29(37)39-25/h6-9,11-12,14,17,19H,3-5,10,15-16H2,1-2H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105693
PNG
(US10047086, 122 | US10640503, Example 122 | US9695...)
Show SMILES COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCCc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C31H33N5O3/c1-37-13-11-35-10-2-4-23(19-35)20-39-29-15-27(24-8-6-22(16-32)7-9-24)30(36-21-33-18-28(29)36)26-14-25-5-3-12-38-31(25)34-17-26/h6-9,14-15,17-18,21,23H,2-5,10-13,19-20H2,1H3/t23-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105842
PNG
(US10047086, 134 | US10640503, Example 134 | US9695...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnn(c3)C3CCC3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H30N6O/c1-32-11-3-4-21(16-32)18-35-27-12-25(22-9-7-20(13-29)8-10-22)28(33-19-30-15-26(27)33)23-14-31-34(17-23)24-5-2-6-24/h7-10,12,14-15,17,19,21,24H,2-6,11,16,18H2,1H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104017
PNG
(US10047086, 19 | US10640503, Example 19 | US969516...)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2c(cc(OC[C@@H]3CCNC3)c3cncn23)-c2ccc(cc2)C#N)CC1 |r|
Show InChI InChI=1S/C31H34N6O/c1-35-12-14-36(15-13-35)20-24-4-8-27(9-5-24)31-28(26-6-2-23(17-32)3-7-26)16-30(29-19-34-22-37(29)31)38-21-25-10-11-33-18-25/h2-9,16,19,22,25,33H,10-15,18,20-21H2,1H3/t25-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105503
PNG
(US10047086, 71 | US10640503, Example 71 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)N3CCCC3=O)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H30N6O2/c1-34-12-2-4-22(18-34)19-38-27-14-25(23-8-6-21(15-31)7-9-23)30(36-20-32-17-26(27)36)24-10-11-28(33-16-24)35-13-3-5-29(35)37/h6-11,14,16-17,20,22H,2-5,12-13,18-19H2,1H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105515
PNG
(US10047086, 77 | US10640503, Example 77 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(cc3)C(C)(C)O)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H32N4O2/c1-30(2,35)25-12-10-24(11-13-25)29-26(23-8-6-21(16-31)7-9-23)15-28(27-17-32-20-34(27)29)36-19-22-5-4-14-33(3)18-22/h6-13,15,17,20,22,35H,4-5,14,18-19H2,1-3H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105544
PNG
(US10047086, 87 | US10640503, Example 87 | US969516...)
Show SMILES COC(=O)N(C)c1ccc(cc1F)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H29FN6O3/c1-34-12-4-5-20(16-34)17-39-28-25-15-32-18-36(25)27(26(33-28)21-8-6-19(14-31)7-9-21)22-10-11-24(23(30)13-22)35(2)29(37)38-3/h6-11,13,15,18,20H,4-5,12,16-17H2,1-3H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105559
PNG
(US10047086, 95 | US10640503, Example 95 | US969516...)
Show SMILES COC(=O)N(C)c1ccc(cc1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C29H31N7O2/c1-33(2)23-13-15-35(16-14-23)28-25-18-31-19-36(25)27(26(32-28)21-7-5-20(17-30)6-8-21)22-9-11-24(12-10-22)34(3)29(37)38-4/h5-12,18-19,23H,13-16H2,1-4H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105574
PNG
(US10047086, 101 | US10640503, Example 101 | US9695...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4CC(O)Cc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H29N5O2/c1-33-10-2-3-20(16-33)17-36-29-26-15-31-18-34(26)28(23-9-8-22-12-25(35)13-24(22)11-23)27(32-29)21-6-4-19(14-30)5-7-21/h4-9,11,15,18,20,25,35H,2-3,10,12-13,16-17H2,1H3/t20-,25?/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105630
PNG
(US10047086, 115 | US10640503, Example 115 | US9695...)
Show SMILES COCCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCOc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H31N5O4/c1-36-10-9-34-8-2-3-22(18-34)19-39-27-14-25(23-6-4-21(15-31)5-7-23)29(35-20-32-17-26(27)35)24-13-28-30(33-16-24)38-12-11-37-28/h4-7,13-14,16-17,20,22H,2-3,8-12,18-19H2,1H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105762
PNG
(US10047086, 128 | US10640503, Example 128 | US9695...)
Show SMILES CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cc(C)c(CO)c(F)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H31FN4O2/c1-3-34-10-4-5-22(16-34)18-37-29-13-25(23-8-6-21(14-32)7-9-23)30(35-19-33-15-28(29)35)24-11-20(2)26(17-36)27(31)12-24/h6-9,11-13,15,19,22,36H,3-5,10,16-18H2,1-2H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105916
PNG
(US10047086, 145 | US10640503, Example 145 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3ncccc3c2)n2cncc12
Show InChI InChI=1S/C29H27N7/c1-34(2)24-11-14-35(15-12-24)29-26-18-31-19-36(26)28(23-9-10-25-22(16-23)4-3-13-32-25)27(33-29)21-7-5-20(17-30)6-8-21/h3-10,13,16,18-19,24H,11-12,14-15H2,1-2H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105578
PNG
(US10047086, 104 | US10640503, Example 104 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3ccoc3c2)n2cncc12
Show InChI InChI=1S/C27H25N7O/c1-32(2)21-7-10-33(11-8-21)27-23-16-29-17-34(23)26(20-13-24-22(30-15-20)9-12-35-24)25(31-27)19-5-3-18(14-28)4-6-19/h3-6,9,12-13,15-17,21H,7-8,10-11H2,1-2H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105728
PNG
(US10047086, 124 | US10640503, Example 124 | US9695...)
Show SMILES CC(O)c1c(F)cc(cc1F)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H28F2N4O2/c1-18(36)28-24(30)10-22(11-25(28)31)29-23(21-7-5-19(13-32)6-8-21)12-27(26-14-33-17-35(26)29)37-16-20-4-3-9-34(2)15-20/h5-8,10-12,14,17-18,20,36H,3-4,9,15-16H2,1-2H3/t18?,20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103892
PNG
(US10047086, 6 | US10640503, Example 6 | US9695168,...)
Show SMILES Clc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C25H21ClN4O/c26-21-7-5-20(6-8-21)25-22(19-3-1-17(12-27)2-4-19)11-24(23-14-29-16-30(23)25)31-15-18-9-10-28-13-18/h1-8,11,14,16,18,28H,9-10,13,15H2/t18-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104682
PNG
(US10047086, 52 | US10640503, Example 52 | US969516...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3N(C)C(=O)Cc3c2)n2cncc12
Show InChI InChI=1S/C29H29N7O/c1-33(2)23-10-12-35(13-11-23)29-25-17-31-18-36(25)28(27(32-29)20-6-4-19(16-30)5-7-20)21-8-9-24-22(14-21)15-26(37)34(24)3/h4-9,14,17-18,23H,10-13,15H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104212
PNG
(US10047086, 46 | US10640503, Example 46 | US969516...)
Show SMILES COC(=O)N(C)c1ccc(cc1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H30N6O3/c1-33-14-4-5-21(17-33)18-38-28-25-16-31-19-35(25)27(26(32-28)22-8-6-20(15-30)7-9-22)23-10-12-24(13-11-23)34(2)29(36)37-3/h6-13,16,19,21H,4-5,14,17-18H2,1-3H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104123
PNG
(US10047086, 41 | US10640503, Example 41 | US969516...)
Show SMILES Cn1ncc2cc(cnc12)-c1c(nc(OC[C@@H]2CCCN(CC(C)(C)O)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C30H32N8O2/c1-30(2,39)18-37-10-4-5-21(16-37)17-40-29-25-15-32-19-38(25)27(23-11-24-14-34-36(3)28(24)33-13-23)26(35-29)22-8-6-20(12-31)7-9-22/h6-9,11,13-15,19,21,39H,4-5,10,16-18H2,1-3H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103893
PNG
(US10047086, 7 | US10640503, Example 7 | US9695168,...)
Show SMILES N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1cnn(c1)C1CCC1 |r|
Show InChI InChI=1S/C26H26N6O/c27-11-18-4-6-20(7-5-18)23-10-25(33-16-19-8-9-28-12-19)24-14-29-17-31(24)26(23)21-13-30-32(15-21)22-2-1-3-22/h4-7,10,13-15,17,19,22,28H,1-3,8-9,12,16H2/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105825
PNG
(US10047086, 133 | US10640503, Example 133 | US9695...)
Show SMILES CCc1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H29N5O/c1-3-24-11-10-23(15-31-24)28-25(22-8-6-20(14-29)7-9-22)13-27(26-16-30-19-33(26)28)34-18-21-5-4-12-32(2)17-21/h6-11,13,15-16,19,21H,3-5,12,17-18H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105599
PNG
(US10047086, 112 | US9695168, 112)
Show SMILES CN(C)[C@H]1CCN(C1)c1nc(-c2ccc(cc2)C#N)c(-c2ccc3n(C)c(=O)oc3c2)n2cncc12 |r|
Show InChI InChI=1S/C27H25N7O2/c1-31(2)20-10-11-33(15-20)26-22-14-29-16-34(22)25(24(30-26)18-6-4-17(13-28)5-7-18)19-8-9-21-23(12-19)36-27(35)32(21)3/h4-9,12,14,16,20H,10-11,15H2,1-3H3/t20-/m0/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104115
PNG
(US10047086, 33 | US10640503, Example 33 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4ncsc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C27H24N6OS/c1-32-10-2-3-19(14-32)15-34-27-23-13-29-16-33(23)26(21-8-9-22-24(11-21)35-17-30-22)25(31-27)20-6-4-18(12-28)5-7-20/h4-9,11,13,16-17,19H,2-3,10,14-15H2,1H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104040
PNG
(US10047086, 21 | US10640503, Example 21 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)oc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H26N6O3/c1-32-11-3-4-19(15-32)16-36-27-23-14-30-17-34(23)26(25(31-27)20-7-5-18(13-29)6-8-20)21-9-10-22-24(12-21)37-28(35)33(22)2/h5-10,12,14,17,19H,3-4,11,15-16H2,1-2H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104113
PNG
(US10047086, 31 | US10640503, Example 31 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4ncccc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H26N6O/c1-34-13-3-4-21(17-34)18-36-29-26-16-31-19-35(26)28(24-10-11-25-23(14-24)5-2-12-32-25)27(33-29)22-8-6-20(15-30)7-9-22/h2,5-12,14,16,19,21H,3-4,13,17-18H2,1H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104073
PNG
(US10047086, 27 | US10640503, Example 27 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C27H26N8O/c1-33-9-3-4-19(15-33)16-36-27-23-14-29-17-35(23)25(21-10-22-13-31-34(2)26(22)30-12-21)24(32-27)20-7-5-18(11-28)6-8-20/h5-8,10,12-14,17,19H,3-4,9,15-16H2,1-2H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105876
PNG
(US10047086, 135 | US10640503, Example 135 | US9695...)
Show SMILES CNC(=O)c1ccc(cn1)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H28N6O2/c1-30-28(35)24-10-9-22(14-32-24)27-23(21-7-5-19(13-29)6-8-21)12-26(25-15-31-18-34(25)27)36-17-20-4-3-11-33(2)16-20/h5-10,12,14-15,18,20H,3-4,11,16-17H2,1-2H3,(H,30,35)/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103899
PNG
(US10047086, 13 | US10640503, Example 13 | US969516...)
Show SMILES N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1ccc(cc1)N1CCOCC1 |r|
Show InChI InChI=1S/C29H29N5O2/c30-16-21-1-3-23(4-2-21)26-15-28(36-19-22-9-10-31-17-22)27-18-32-20-34(27)29(26)24-5-7-25(8-6-24)33-11-13-35-14-12-33/h1-8,15,18,20,22,31H,9-14,17,19H2/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104114
PNG
(US10047086, 32 | US10640503, Example 32 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)nc(C)c4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H29N7O/c1-19-24-13-23(10-11-25(24)35(3)33-19)28-27(22-8-6-20(14-30)7-9-22)32-29(26-15-31-18-36(26)28)37-17-21-5-4-12-34(2)16-21/h6-11,13,15,18,21H,4-5,12,16-17H2,1-3H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104007
PNG
(US10047086, 17 | US10640503, Example 17 | US969516...)
Show SMILES N#Cc1ccc(cc1)-c1cc(OC[C@@H]2CCNC2)c2cncn2c1-c1ccc(CN2CCOCC2)cc1 |r|
Show InChI InChI=1S/C30H31N5O2/c31-16-22-1-5-25(6-2-22)27-15-29(37-20-24-9-10-32-17-24)28-18-33-21-35(28)30(27)26-7-3-23(4-8-26)19-34-11-13-36-14-12-34/h1-8,15,18,21,24,32H,9-14,17,19-20H2/t24-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105135
PNG
(US10047086, 66 | US10640503, Example 66 | US969516...)
Show SMILES CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)cnc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H29N7O/c1-3-35-10-4-5-21(16-35)17-37-27-12-24(22-8-6-20(13-30)7-9-22)28(36-18-31-15-26(27)36)23-11-25-29(32-14-23)34(2)19-33-25/h6-9,11-12,14-15,18-19,21H,3-5,10,16-17H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105149
PNG
(US10047086, 68 | US10640503, Example 68 | US969516...)
Show SMILES CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCCc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H31N5O2/c1-2-34-11-3-5-22(18-34)19-37-28-14-26(23-9-7-21(15-31)8-10-23)29(35-20-32-17-27(28)35)25-13-24-6-4-12-36-30(24)33-16-25/h7-10,13-14,16-17,20,22H,2-6,11-12,18-19H2,1H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105784
PNG
(US10047086, 132 | US10640503, Example 132 | US9695...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)C(C)(C)C#N)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H30N6O/c1-30(2,19-32)28-11-10-24(15-34-28)29-25(23-8-6-21(14-31)7-9-23)13-27(26-16-33-20-36(26)29)37-18-22-5-4-12-35(3)17-22/h6-11,13,15-16,20,22H,4-5,12,17-18H2,1-3H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105893
PNG
(US10047086, 140 | US10640503, Example 140 | US9695...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc(C)c(c2)C(F)F)n2cncc12
Show InChI InChI=1S/C27H27F2N7/c1-17-22(26(28)29)12-20(14-32-17)25-24(19-6-4-18(13-30)5-7-19)33-27(23-15-31-16-36(23)25)35-10-8-21(9-11-35)34(2)3/h4-7,12,14-16,21,26H,8-11H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104925
PNG
(US10047086, 55 | US10640503, Example 55 | US969516...)
Show SMILES CN(C)C1CCN(CC1)c1nc(-c2ccc(cc2)C#N)c(-c2cnc3cccnc3c2)n2cncc12
Show InChI InChI=1S/C28H26N8/c1-34(2)22-9-12-35(13-10-22)28-25-17-30-18-36(25)27(21-14-24-23(32-16-21)4-3-11-31-24)26(33-28)20-7-5-19(15-29)6-8-20/h3-8,11,14,16-18,22H,9-10,12-13H2,1-2H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105660
PNG
(US10047086, 117 | US10640503, Example 117 | US9695...)
Show SMILES CCn1nnc2cc(cnc12)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H28N8O/c1-3-36-28-24(32-33-36)11-22(14-31-28)27-23(21-8-6-19(13-29)7-9-21)12-26(25-15-30-18-35(25)27)37-17-20-5-4-10-34(2)16-20/h6-9,11-12,14-15,18,20H,3-5,10,16-17H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105667
PNG
(US10047086, 119 | US10640503, Example 119 | US9695...)
Show SMILES CC(O)CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H29N5O3/c1-20(36)16-34-9-2-3-22(17-34)18-38-29-12-25(23-6-4-21(13-31)5-7-23)30(35-19-32-15-27(29)35)24-11-28-26(33-14-24)8-10-37-28/h4-8,10-12,14-15,19-20,22,36H,2-3,9,16-18H2,1H3/t20?,22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104071
PNG
(US10047086, 25 | US10640503, Example 25 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)COc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H28N6O3/c1-33-11-3-4-20(15-33)16-38-29-24-14-31-18-35(24)28(27(32-29)21-7-5-19(13-30)6-8-21)22-9-10-23-25(12-22)37-17-26(36)34(23)2/h5-10,12,14,18,20H,3-4,11,15-17H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105922
PNG
(US10047086, 146 | US10640503, Example 146 | US9695...)
Show SMILES CCN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)nc3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H29N5O/c1-3-32-12-4-5-22(17-32)18-34-27-13-25(23-10-7-21(14-29)8-11-23)28(33-19-30-16-26(27)33)24-9-6-20(2)31-15-24/h6-11,13,15-16,19,22H,3-5,12,17-18H2,1-2H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM106010
PNG
(US10047086, 147 | US10640503, Example 147 | US9695...)
Show SMILES COCc1cc(cnc1C)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H31N5O2/c1-20-25(18-35-3)11-24(14-32-20)29-26(23-8-6-21(13-30)7-9-23)12-28(27-15-31-19-34(27)29)36-17-22-5-4-10-33(2)16-22/h6-9,11-12,14-15,19,22H,4-5,10,16-18H2,1-3H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105596
PNG
(US10047086, 110 | US10640503, Example 110 | US9695...)
Show SMILES CCN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)Cc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H30N6O2/c1-3-35-12-4-5-21(17-35)18-38-30-26-16-32-19-36(26)29(28(33-30)22-8-6-20(15-31)7-9-22)23-10-11-25-24(13-23)14-27(37)34(25)2/h6-11,13,16,19,21H,3-5,12,14,17-18H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105030
PNG
(US10047086, 60 | US10640503, Example 60 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4ccoc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C28H25N5O2/c1-32-9-2-3-20(16-32)17-35-27-12-23(21-6-4-19(13-29)5-7-21)28(33-18-30-15-25(27)33)22-11-26-24(31-14-22)8-10-34-26/h4-8,10-12,14-15,18,20H,2-3,9,16-17H2,1H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105546
PNG
(US10047086, 88 | US10640503, Example 88 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc(C)c(F)c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C26H25FN6O/c1-17-22(27)10-21(12-30-17)25-24(20-7-5-18(11-28)6-8-20)31-26(23-13-29-16-33(23)25)34-15-19-4-3-9-32(2)14-19/h5-8,10,12-13,16,19H,3-4,9,14-15H2,1-2H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM106051
PNG
(US10047086, 152 | US10640503, Example 152 | US9695...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4N(C)C(=O)COc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H28N6O3/c1-33-9-3-4-20(15-33)16-37-25-11-23(21-7-5-19(12-30)6-8-21)28(35-18-31-14-24(25)35)22-10-26-29(32-13-22)34(2)27(36)17-38-26/h5-8,10-11,13-14,18,20H,3-4,9,15-17H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105031
PNG
(US10047086, 61 | US10640503, Example 61 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCCc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H29N5O2/c1-33-10-2-4-21(17-33)18-36-27-13-25(22-8-6-20(14-30)7-9-22)28(34-19-31-16-26(27)34)24-12-23-5-3-11-35-29(23)32-15-24/h6-9,12-13,15-16,19,21H,2-5,10-11,17-18H2,1H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105665
PNG
(US10047086, 118 | US10640503, Example 118 | US9695...)
Show SMILES CC(O)CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4OCCOc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H31N5O4/c1-20(36)16-34-8-2-3-22(17-34)18-39-27-12-25(23-6-4-21(13-31)5-7-23)29(35-19-32-15-26(27)35)24-11-28-30(33-14-24)38-10-9-37-28/h4-7,11-12,14-15,19-20,22,36H,2-3,8-10,16-18H2,1H3/t20?,22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105167
PNG
(US10047086, 69 | US10640503, Example 69 | US969516...)
Show SMILES COc1ncc(cc1N)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C27H28N6O2/c1-32-9-3-4-19(15-32)16-35-25-11-22(20-7-5-18(12-28)6-8-20)26(33-17-30-14-24(25)33)21-10-23(29)27(34-2)31-13-21/h5-8,10-11,13-14,17,19H,3-4,9,15-16,29H2,1-2H3/t19-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104988
PNG
(US10047086, 59 | US10640503, Example 59 | US969516...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4cccnc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H26N6O/c1-34-11-3-4-21(17-34)18-36-28-13-24(22-8-6-20(14-30)7-9-22)29(35-19-31-16-27(28)35)23-12-26-25(33-15-23)5-2-10-32-26/h2,5-10,12-13,15-16,19,21H,3-4,11,17-18H2,1H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104041
PNG
(US10047086, 22 | US10640503, Example 22 | US969516...)
Show SMILES CN1C(=O)Cc2cc(ccc12)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H28N6O2/c1-33-11-3-4-20(16-33)17-37-29-25-15-31-18-35(25)28(27(32-29)21-7-5-19(14-30)6-8-21)22-9-10-24-23(12-22)13-26(36)34(24)2/h5-10,12,15,18,20H,3-4,11,13,16-17H2,1-2H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103896
PNG
(US10047086, 10 | US10640503, Example 10 | US969516...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(cc1)C#N |r,c:10|
Show InChI InChI=1S/C29H33N5O3/c1-29(2,3)37-28(35)33-12-9-23(10-13-33)27-24(22-6-4-20(15-30)5-7-22)14-26(25-17-32-19-34(25)27)36-18-21-8-11-31-16-21/h4-7,9,14,17,19,21,31H,8,10-13,16,18H2,1-3H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM106143
PNG
(US10047086, 158 | US10640503, Example 158 | US9695...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)c(nc4c3)C3CC3)n3cncc23)C1 |r|
Show InChI InChI=1S/C31H31N7O/c1-36-11-3-4-21(17-36)18-39-28-13-25(22-7-5-20(14-32)6-8-22)29(38-19-33-16-27(28)38)24-12-26-31(34-15-24)37(2)30(35-26)23-9-10-23/h5-8,12-13,15-16,19,21,23H,3-4,9-11,17-18H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM106044
PNG
(US10047086, 151 | US10640503, Example 151 | US9695...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3ccc(nc3)C(C)(C)O)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H31N5O2/c1-29(2,35)27-11-10-23(15-32-27)28-24(22-8-6-20(14-30)7-9-22)13-26(25-16-31-19-34(25)28)36-18-21-5-4-12-33(3)17-21/h6-11,13,15-16,19,21,35H,4-5,12,17-18H2,1-3H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM106093
PNG
(US10047086, 157 | US10640503, Example 157 | US9695...)
Show SMILES CC(C)c1nc2cc(cnc2n1C)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C31H33N7O/c1-20(2)30-35-26-12-24(15-34-31(26)37(30)4)29-25(23-9-7-21(14-32)8-10-23)13-28(27-16-33-19-38(27)29)39-18-22-6-5-11-36(3)17-22/h7-10,12-13,15-16,19-20,22H,5-6,11,17-18H2,1-4H3/t22-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM106087
PNG
(US10047086, 156 | US10640503, Example 156 | US9695...)
Show SMILES CN1CCC[C@@H](COc2cc(-c3ccc(cc3)C#N)c(-c3cnc4n(nnc4c3)C3CC3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H28N8O/c1-35-10-2-3-20(16-35)17-38-27-12-24(21-6-4-19(13-30)5-7-21)28(36-18-31-15-26(27)36)22-11-25-29(32-14-22)37(34-33-25)23-8-9-23/h4-7,11-12,14-15,18,20,23H,2-3,8-10,16-17H2,1H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104121
PNG
(US10047086, 39 | US10640503, Example 39 | US969516...)
Show SMILES CC(O)CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3cnc4n(C)ncc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H30N8O2/c1-19(38)15-36-9-3-4-21(16-36)17-39-29-25-14-31-18-37(25)27(23-10-24-13-33-35(2)28(24)32-12-23)26(34-29)22-7-5-20(11-30)6-8-22/h5-8,10,12-14,18-19,21,38H,3-4,9,15-17H2,1-2H3/t19?,21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM106085
PNG
(US10047086, 154 | US10640503, Example 154 | US9695...)
Show SMILES CN1Cc2cc(ccc2C1=O)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C30H29N5O2/c1-33-11-3-4-21(16-33)18-37-28-13-26(22-7-5-20(14-31)6-8-22)29(35-19-32-15-27(28)35)23-9-10-25-24(12-23)17-34(2)30(25)36/h5-10,12-13,15,19,21H,3-4,11,16-18H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104657
PNG
(US10047086, 49 | US10640503, Example 49 | US969516...)
Show SMILES COC(=O)N(C)c1ccc(cn1)-c1c(nc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C28H29N7O3/c1-33-12-4-5-20(16-33)17-38-27-23-15-30-18-35(23)26(25(32-27)21-8-6-19(13-29)7-9-21)22-10-11-24(31-14-22)34(2)28(36)37-3/h6-11,14-15,18,20H,4-5,12,16-17H2,1-3H3/t20-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104070
PNG
(US10047086, 24 | US10640503, Example 24 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4N(C)C(=O)CCc4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C30H30N6O2/c1-34-13-3-4-21(17-34)18-38-30-26-16-32-19-36(26)29(28(33-30)22-7-5-20(15-31)6-8-22)24-9-11-25-23(14-24)10-12-27(37)35(25)2/h5-9,11,14,16,19,21H,3-4,10,12-13,17-18H2,1-2H3/t21-/m1/s1
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM106024
PNG
(US10047086, 150 | US10640503, Example 150 | US9695...)
Show SMILES COc1ncc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H26N8O/c1-31(2)20-8-10-32(11-9-20)24-21-15-27-16-33(21)23(19-13-28-25(34-3)29-14-19)22(30-24)18-6-4-17(12-26)5-7-18/h4-7,13-16,20H,8-11H2,1-3H3
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Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM104072
PNG
(US10047086, 26 | US10640503, Example 26 | US969516...)
Show SMILES CN1CCC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc4n(C)c(=O)n(C)c4c3)n3cncc23)C1 |r|
Show InChI InChI=1S/C29H29N7O2/c1-33-12-4-5-20(16-33)17-38-28-25-15-31-18-36(25)27(26(32-28)21-8-6-19(14-30)7-9-21)22-10-11-23-24(13-22)35(3)29(37)34(23)2/h6-11,13,15,18,20H,4-5,12,16-17H2,1-3H3/t20-/m1/s1
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n/an/a 300n/an/an/an/a7.525



Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM105897
PNG
(US10047086, 141 | US10640503, Example 141 | US9695...)
Show SMILES CNC(=O)c1ccc(cn1)-c1c(nc(N2CCC(CC2)N(C)C)c2cncn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C27H28N8O/c1-29-27(36)22-9-8-20(15-31-22)25-24(19-6-4-18(14-28)5-7-19)32-26(23-16-30-17-35(23)25)34-12-10-21(11-13-34)33(2)3/h4-9,15-17,21H,10-13H2,1-3H3,(H,29,36)
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n/an/a 300n/an/an/an/a7.525



Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM106086
PNG
(US10047086, 155 | US10640503, Example 155 | US9695...)
Show SMILES CC(C)n1nnc2cc(cnc12)-c1c(cc(OC[C@@H]2CCCN(C)C2)c2cncn12)-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C29H30N8O/c1-19(2)37-29-25(33-34-37)11-23(14-32-29)28-24(22-8-6-20(13-30)7-9-22)12-27(26-15-31-18-36(26)28)38-17-21-5-4-10-35(3)16-21/h6-9,11-12,14-15,18-19,21H,4-5,10,16-17H2,1-3H3/t21-/m1/s1
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n/an/a 300n/an/an/an/a7.525



Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A [151-852]


(Homo sapiens (Human))		BDBM103888
PNG
(US10047086, 2 | US10640503, Example 2 | US9695168,...)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2cncn12)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H24FN3O/c1-17-2-4-20(5-3-17)25-22(19-6-8-21(26)9-7-19)12-24(23-14-28-16-29(23)25)30-15-18-10-11-27-13-18/h2-9,12,14,16,18,27H,10-11,13,15H2,1H3/t18-/m1/s1
PDB

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n/an/a 750n/an/an/an/a7.525



Incyte Corporation

US Patent


Assay Description
LANCE LSD1/KDM1A demethylase assay¿10 uL 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 mM Na...

US Patent US9695168 (2017)


BindingDB Entry DOI: 10.7270/Q2SX6BCD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%