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BDBM65037 BDBM65038::US9487511, 71

SMILES: O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1

InChI Key: InChIKey=QZNGFWQWWSECMG-LSDHHAIUSA-N

Data: 15 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 65037   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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US Patent
n/an/a<100n/an/an/an/a8.025



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK. A test compound...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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US Patent
n/an/a<100n/an/an/an/a8.025



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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US Patent
n/an/a<100n/an/an/an/a8.025



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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US Patent
n/an/a<100n/an/an/an/a8.025



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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US Patent
n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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US Patent
n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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US Patent
n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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US Patent
n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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US Patent
n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
The MAO-A inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK.A test compound ...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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US Patent
n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK. A test compound...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK. A test compound...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK. A test compound...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
The MAO-B inhibitory activity evaluation described below followed the protocol of MAO-Glo (registered trademark) Assay of Promega KK. A test compound...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair
GST-Lysine-specific histone demethylase 1A (LSD1)


(Homo sapiens (Human))
BDBM65037
PNG
(BDBM65038 | US9487511, 71)
Show SMILES O=C(NC1CCOCC1)c1csc(c1)[C@H]1C[C@H]1NCC1CC1
Show InChI InChI=1S/C17H24N2O2S/c20-17(19-13-3-5-21-6-4-13)12-7-16(22-10-12)14-8-15(14)18-9-11-1-2-11/h7,10-11,13-15,18H,1-6,8-9H2,(H,19,20)/t14-,15+/m0/s1
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US Patent
n/an/a<100n/an/an/an/a8.025



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
A test compound dissolved in DMSO was added by to a reaction solution (50 mM Tris-HCl (pH 8.0), 0.1% BSA, 1 mM DTT) containing LSD1 enzyme, and the m...


US Patent US9487511 (2016)


BindingDB Entry DOI: 10.7270/Q2V123Q4
More data for this
Ligand-Target Pair