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SMILES: Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1

InChI Key: InChIKey=ZSDGWAKTDYTEID-UHFFFAOYSA-N

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 21 hits for monomerid = 256628   
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
Glutathione S-transferase P/Lysine-specific histone demethylase 1A [172-833]


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a 260n/an/an/an/a8.025



Takeda Pharmaceutical Company Limited

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))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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 US10968213 (2021)


BindingDB Entry DOI: 10.7270/Q2542RQT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

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))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a 260n/an/an/an/a8.025



Takeda Pharmaceutical Company Limited

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)


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


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a 8.20E+4n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

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)


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


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

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)


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


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a 260n/an/an/an/a8.025



Takeda Pharmaceutical Company Limited

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))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a 8.20E+4n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

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))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

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))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a 260n/an/an/an/a8.025



Takeda Pharmaceutical Company Limited

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)


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


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a 8.20E+4n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

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)


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


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a>1.00E+5n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

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)


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


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a 260n/an/an/an/an/an/a



Montana State University



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...


J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2R213PQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a 8.20E+4n/an/an/an/an/an/a



Montana State University



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...


J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2R213PQ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Montana State University



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...


J Med Chem 50: 4928-38 (2007)


BindingDB Entry DOI: 10.7270/Q2R213PQ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a 260n/an/an/an/an/an/a



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)


BindingDB Entry DOI: 10.7270/Q2V98BFG
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a 8.20E+4n/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)


BindingDB Entry DOI: 10.7270/Q2V98BFG
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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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)


BindingDB Entry DOI: 10.7270/Q2V98BFG
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
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n/an/a 260n/an/an/an/an/an/a



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 US10968213 (2021)


BindingDB Entry DOI: 10.7270/Q2542RQT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.20E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

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 US10968213 (2021)


BindingDB Entry DOI: 10.7270/Q2542RQT
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM256628
PNG
(US10053456, 7 | US10414761, Example 7 | US10968213...)
Show SMILES Cc1nnc(NC(=O)c2cc(C3CC3NCC3CC3)c3ccccc3c2)s1
Show InChI InChI=1S/C21H22N4OS/c1-12-24-25-21(27-12)23-20(26)15-8-14-4-2-3-5-16(14)17(9-15)18-10-19(18)22-11-13-6-7-13/h2-5,8-9,13,18-19,22H,6-7,10-11H2,1H3,(H,23,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.20E+4n/an/an/an/a7.525



Takeda Pharmaceutical Company Limited

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