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Patent code US9695167

Compile Data Set for Download or QSAR
Found 13 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


(Human)
BDBM103875
PNG
(US9695167, 2)
Show SMILES Cc1ccc(cc1)-c1c(cc(CCC2CCNC2)c2ncnn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C26H25N5/c1-18-2-7-22(8-3-18)25-24(21-9-4-19(15-27)5-10-21)14-23(26-29-17-30-31(25)26)11-6-20-12-13-28-16-20/h2-5,7-10,14,17,20,28H,6,11-13,16H2,1H3
PDB

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US Patent
n/an/a<50n/an/an/an/an/an/a



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...


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


(Human)
BDBM103883
PNG
(US9695167, 10)
Show SMILES CN[C@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1
Show InChI InChI=1S/C26H26N6/c1-18-3-7-21(8-4-18)25-24(20-9-5-19(14-27)6-10-20)13-22(26-29-17-30-32(25)26)15-31-12-11-23(16-31)28-2/h3-10,13,17,23,28H,11-12,15-16H2,1-2H3/t23-/m0/s1
PDB

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US Patent
n/an/a<50n/an/an/an/an/an/a



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...


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


(Human)
BDBM103874
PNG
(US9695167, 1)
Show SMILES Cc1ccc(cc1)-c1c(cc(OC[C@@H]2CCNC2)c2ncnn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H23N5O/c1-17-2-6-21(7-3-17)24-22(20-8-4-18(13-26)5-9-20)12-23(25-28-16-29-30(24)25)31-15-19-10-11-27-14-19/h2-9,12,16,19,27H,10-11,14-15H2,1H3/t19-/m1/s1
PDB

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US Patent
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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...


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


(Human)
BDBM103885
PNG
(US9695167, 12)
Show SMILES Cc1ccc(cc1)-c1c(nc(OC[C@@H]2CCNC2)c2ncnn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C24H22N6O/c1-16-2-6-20(7-3-16)22-21(19-8-4-17(12-25)5-9-19)29-24(23-27-15-28-30(22)23)31-14-18-10-11-26-13-18/h2-9,15,18,26H,10-11,13-14H2,1H3/t18-/m1/s1
PDB

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US Patent
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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...


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


(Human)
BDBM103884
PNG
(US9695167, 11)
Show SMILES CN[C@@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1
Show InChI InChI=1S/C26H26N6/c1-18-3-7-21(8-4-18)25-24(20-9-5-19(14-27)6-10-20)13-22(26-29-17-30-32(25)26)15-31-12-11-23(16-31)28-2/h3-10,13,17,23,28H,11-12,15-16H2,1-2H3/t23-/m1/s1
PDB

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US Patent
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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...


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


(Human)
BDBM103881
PNG
(US9695167, 8)
Show SMILES CN(C)[C@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1
Show InChI InChI=1S/C27H28N6/c1-19-4-8-22(9-5-19)26-25(21-10-6-20(15-28)7-11-21)14-23(27-29-18-30-33(26)27)16-32-13-12-24(17-32)31(2)3/h4-11,14,18,24H,12-13,16-17H2,1-3H3/t24-/m0/s1
PDB

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US Patent
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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...


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


(Human)
BDBM103878
PNG
(US9695167, 5)
Show SMILES Cc1ccc(cc1)-c1c(cc(-c2cccc(CN3CCC(N)C3)c2)c2ncnn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C31H28N6/c1-21-5-9-25(10-6-21)30-28(24-11-7-22(17-32)8-12-24)16-29(31-34-20-35-37(30)31)26-4-2-3-23(15-26)18-36-14-13-27(33)19-36/h2-12,15-16,20,27H,13-14,18-19,33H2,1H3
PDB

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US Patent
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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...


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


(Human)
BDBM103876
PNG
(US9695167, 3)
Show SMILES CN1CCC(CCc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1
Show InChI InChI=1S/C27H27N5/c1-19-3-8-23(9-4-19)26-25(22-10-5-20(16-28)6-11-22)15-24(27-29-18-30-32(26)27)12-7-21-13-14-31(2)17-21/h3-6,8-11,15,18,21H,7,12-14,17H2,1-2H3
PDB

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US Patent
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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...


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


(Human)
BDBM103882
PNG
(US9695167, 9)
Show SMILES CN(C)[C@@H]1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1
Show InChI InChI=1S/C27H28N6/c1-19-4-8-22(9-5-19)26-25(21-10-6-20(15-28)7-11-21)14-23(27-29-18-30-33(26)27)16-32-13-12-24(17-32)31(2)3/h4-11,14,18,24H,12-13,16-17H2,1-3H3/t24-/m1/s1
PDB

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US Patent
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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...


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


(Human)
BDBM103880
PNG
(US9695167, 7)
Show SMILES CN1CCN(Cc2cc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)CC1
Show InChI InChI=1S/C26H26N6/c1-19-3-7-22(8-4-19)25-24(21-9-5-20(16-27)6-10-21)15-23(26-28-18-29-32(25)26)17-31-13-11-30(2)12-14-31/h3-10,15,18H,11-14,17H2,1-2H3
PDB

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US Patent
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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...


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


(Human)
BDBM103886
PNG
(US9695167, 13)
Show SMILES CN1CC[C@@H](COc2nc(-c3ccc(cc3)C#N)c(-c3ccc(C)cc3)n3ncnc23)C1
Show InChI InChI=1S/C25H24N6O/c1-17-3-7-21(8-4-17)23-22(20-9-5-18(13-26)6-10-20)29-25(24-27-16-28-31(23)24)32-15-19-11-12-30(2)14-19/h3-10,16,19H,11-12,14-15H2,1-2H3/t19-/m1/s1
PDB

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PC cid
PC sid
UniChem
US Patent
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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...


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


(Human)
BDBM103879
PNG
(US9695167, 6)
Show SMILES Cc1ccc(cc1)-c1c(cc(-c2cccc(CN3CCNCC3)c2)c2ncnn12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C31H28N6/c1-22-5-9-26(10-6-22)30-28(25-11-7-23(19-32)8-12-25)18-29(31-34-21-35-37(30)31)27-4-2-3-24(17-27)20-36-15-13-33-14-16-36/h2-12,17-18,21,33H,13-16,20H2,1H3
PDB

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US Patent
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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...


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


(Human)
BDBM103877
PNG
(US9695167, 4)
Show SMILES CNCc1cccc(c1)-c1cc(-c2ccc(cc2)C#N)c(-c2ccc(C)cc2)n2ncnc12
Show InChI InChI=1S/C28H23N5/c1-19-6-10-23(11-7-19)27-25(22-12-8-20(16-29)9-13-22)15-26(28-31-18-32-33(27)28)24-5-3-4-21(14-24)17-30-2/h3-15,18,30H,17H2,1-2H3
PDB

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US Patent
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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...


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