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BDBM243414 5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amino)- cyclopropyl)-N-(5- methyl-1,3,4- thiadiazol-2-yl)thiophene-3-carboxamide::US10053456, 48::US9718814, 48

SMILES: Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1

InChI Key: InChIKey=QBXUQLFZZIDITQ-HZPDHXFCSA-N

Data: 9 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 9 hits for monomerid = 243414   
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM243414
PNG
(5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amin...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1
Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)12-8-17(26-10-12)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)/t15-,16-/m1/s1
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n/an/a<100n/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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Homo sapiens (Human))
BDBM243414
PNG
(5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amin...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1
Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)12-8-17(26-10-12)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)/t15-,16-/m1/s1
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n/an/a 3.10E+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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(Homo sapiens (Human))
BDBM243414
PNG
(5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amin...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1
Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)12-8-17(26-10-12)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)/t15-,16-/m1/s1
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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)

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


(Homo sapiens (Human))
BDBM243414
PNG
(5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amin...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1
Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)12-8-17(26-10-12)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)/t15-,16-/m1/s1
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n/an/a<100n/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)

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


(Homo sapiens (Human))
BDBM243414
PNG
(5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amin...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1
Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)12-8-17(26-10-12)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)/t15-,16-/m1/s1
PDB

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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)

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


(Homo sapiens (Human))
BDBM243414
PNG
(5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amin...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1
Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)12-8-17(26-10-12)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)/t15-,16-/m1/s1
PDB

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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)

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


(Homo sapiens (Human))
BDBM243414
PNG
(5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amin...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1
Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)12-8-17(26-10-12)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)/t15-,16-/m1/s1
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n/an/a<100n/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)

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


(Homo sapiens (Human))
BDBM243414
PNG
(5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amin...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1
Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)12-8-17(26-10-12)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)/t15-,16-/m1/s1
UniProtKB/SwissProt

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n/an/a 3.10E+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)

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


(Homo sapiens (Human))
BDBM243414
PNG
(5-((1R,2R)-2-((1- cyclopropylpiperi- din-4-yl)amin...)
Show SMILES Cc1nnc(NC(=O)c2csc(c2)[C@@H]2C[C@H]2NC2CCN(CC2)C2CC2)s1
Show InChI InChI=1S/C19H25N5OS2/c1-11-22-23-19(27-11)21-18(25)12-8-17(26-10-12)15-9-16(15)20-13-4-6-24(7-5-13)14-2-3-14/h8,10,13-16,20H,2-7,9H2,1H3,(H,21,23,25)/t15-,16-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.10E+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)

More data for this
Ligand-Target Pair