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BDBM256638 US10053456, 17::US10414761, Example 17::US9487511, 17::US9718814, 17::US9920047, 17

SMILES: Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1

InChI Key: InChIKey=OLFKCXUDGUAIFH-UHFFFAOYNA-N

Data: 18 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 18 hits for monomerid = 256638   
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))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
PDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 220n/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))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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


US Patent US10414761 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
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PC sid
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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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
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n/an/a 220n/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 US9718814 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q21838J9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
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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
A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LL...


US Patent US9718814 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q21838J9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
PDB

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PC cid
PC sid
UniChem
Article
US Patent
n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldr...


US Patent US9718814 (2017)


Article DOI: 10.1021/jm9707028
BindingDB Entry DOI: 10.7270/Q21838J9
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
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n/an/a 220n/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 US9714241 (2017)


BindingDB Entry DOI: 10.7270/Q2QZ2CZN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
PDB

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PC sid
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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 US9714241 (2017)


BindingDB Entry DOI: 10.7270/Q2QZ2CZN
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
PDB

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PC sid
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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 US9714241 (2017)


BindingDB Entry DOI: 10.7270/Q2QZ2CZN
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
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n/an/a 220n/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 US10053456 (2018)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q23J3FZ4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
PDB

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GoogleScholar
PC cid
PC sid
UniChem
Article
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 US10053456 (2018)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q23J3FZ4
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
PDB

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PC cid
PC sid
UniChem
Article
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 US10053456 (2018)


Article DOI: 10.1021/jm0204183
BindingDB Entry DOI: 10.7270/Q23J3FZ4
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
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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 US9920047 (2018)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol) containing MAO-A enzyme (Sigma-Aldrich Co. LL...


US Patent US9920047 (2018)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Co., Ltd

US Patent


Assay Description
A test compound dissolved in DMSO was added to a reaction solution (100 mM HEPES (pH 7.5), 5% glycerol, 10% DMSO) containing MAO-B enzyme (Sigma-Aldr...


US Patent US9920047 (2018)

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


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
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Takeda Pharmaceutical Company Limited

US Patent


Assay Description
LSD1: 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...


US Patent US10414761 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
PDB

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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


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


US Patent US10414761 (2019)

More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM256638
PNG
(US10053456, 17 | US10414761, Example 17 | US948751...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NC3CCC3)c(C)s2)s1
Show InChI InChI=1/C16H20N4OS2/c1-8-11(12-6-13(12)17-10-4-3-5-10)7-14(22-8)15(21)18-16-20-19-9(2)23-16/h7,10,12-13,17H,3-6H2,1-2H3,(H,18,20,21)
PDB

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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