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Patent code US8552037

Compile Data Set for Download or QSAR
Found 42 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
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103448
PNG
(US8552037, 95)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(CCCCc4ccccc4)oc3c12
Show InChI InChI=1S/C24H28N2O2/c1-17(27)25-16-15-20-12-11-19-13-14-21-24(23(19)20)28-22(26-21)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,13-14,20H,5-6,9-12,15-16H2,1H3,(H,25,27)
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n/an/a 0.0220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103446
PNG
(US8552037, 93)
Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c12 |r|
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)/t12-/m0/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103450
PNG
(US8552037, 98)
Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(C)sc3c12 |r|
Show InChI InChI=1S/C15H18N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1
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n/an/a 0.0380n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103446
PNG
(US8552037, 93)
Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c12 |r|
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)/t12-/m0/s1
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n/an/a 0.0490n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103443
PNG
(US8552037, 90)
Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c12 |r|
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1
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n/an/a 0.0570n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103437
PNG
(US8552037, 82)
Show SMILES CC(=O)NCCC1=CCc2ccc3nc(C)oc3c12 |t:6|
Show InChI InChI=1S/C15H16N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h4-6H,3,7-8H2,1-2H3,(H,16,18)
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n/an/a 0.0680n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103439
PNG
(US8552037, 84)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(CCCCc4ccccc4)oc3c12 |w:5.4|
Show InChI InChI=1S/C24H26N2O2/c1-17(27)25-16-15-20-12-11-19-13-14-21-24(23(19)20)28-22(26-21)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,13-15H,5-6,9-12,16H2,1H3,(H,25,27)
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n/an/a 0.0790n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103448
PNG
(US8552037, 95)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(CCCCc4ccccc4)oc3c12
Show InChI InChI=1S/C24H28N2O2/c1-17(27)25-16-15-20-12-11-19-13-14-21-24(23(19)20)28-22(26-21)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,13-14,20H,5-6,9-12,15-16H2,1H3,(H,25,27)
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n/an/a 0.0910n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103456
PNG
(US8552037, 123)
Show SMILES Cc1nc2ccc3CCC(CCNC(=O)C(F)(F)F)c3c2o1
Show InChI InChI=1S/C15H15F3N2O2/c1-8-20-11-5-4-9-2-3-10(12(9)13(11)22-8)6-7-19-14(21)15(16,17)18/h4-5,10H,2-3,6-7H2,1H3,(H,19,21)
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n/an/a 0.0950n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103450
PNG
(US8552037, 98)
Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(C)sc3c12 |r|
Show InChI InChI=1S/C15H18N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1
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n/an/a 0.120n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103445
PNG
(US8552037, 92)
Show SMILES CCC(=O)NCCC1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)
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n/an/a 0.130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103443
PNG
(US8552037, 90)
Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(C)oc3c12 |r|
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1
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n/an/a 0.130n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103456
PNG
(US8552037, 123)
Show SMILES Cc1nc2ccc3CCC(CCNC(=O)C(F)(F)F)c3c2o1
Show InChI InChI=1S/C15H15F3N2O2/c1-8-20-11-5-4-9-2-3-10(12(9)13(11)22-8)6-7-19-14(21)15(16,17)18/h4-5,10H,2-3,6-7H2,1H3,(H,19,21)
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n/an/a 0.140n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103442
PNG
(US8552037, 89)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)
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n/an/a 0.150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103449
PNG
(US8552037, 97)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(C)sc3c12
Show InChI InChI=1S/C15H18N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)
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n/an/a 0.150n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103440
PNG
(US8552037, 86)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(C)sc3c12 |w:5.4|
Show InChI InChI=1S/C15H16N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-7H,3-4,8H2,1-2H3,(H,16,18)
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n/an/a 0.190n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103438
PNG
(US8552037, 83)
Show SMILES CCC(=O)NCC=C1CCc2ccc3nc(C)oc3c12 |w:6.5|
Show InChI InChI=1S/C16H18N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-8H,3-5,9H2,1-2H3,(H,17,19)
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n/an/a 0.220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103440
PNG
(US8552037, 86)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(C)sc3c12 |w:5.4|
Show InChI InChI=1S/C15H16N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-7H,3-4,8H2,1-2H3,(H,16,18)
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n/an/a 0.220n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103437
PNG
(US8552037, 82)
Show SMILES CC(=O)NCCC1=CCc2ccc3nc(C)oc3c12 |t:6|
Show InChI InChI=1S/C15H16N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h4-6H,3,7-8H2,1-2H3,(H,16,18)
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n/an/a 0.240n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103455
PNG
(US8552037, 121)
Show SMILES Cc1nc2ccc3CCC(CCNC(=O)C4CC4)c3c2o1
Show InChI InChI=1S/C17H20N2O2/c1-10-19-14-7-6-11-2-3-12(15(11)16(14)21-10)8-9-18-17(20)13-4-5-13/h6-7,12-13H,2-5,8-9H2,1H3,(H,18,20)
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n/an/a 0.25n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103438
PNG
(US8552037, 83)
Show SMILES CCC(=O)NCC=C1CCc2ccc3nc(C)oc3c12 |w:6.5|
Show InChI InChI=1S/C16H18N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-8H,3-5,9H2,1-2H3,(H,17,19)
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n/an/a 0.25n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103445
PNG
(US8552037, 92)
Show SMILES CCC(=O)NCCC1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)
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n/an/a 0.280n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103454
PNG
(US8552037, 116)
Show SMILES COc1nc2ccc3CCC(CCNC(C)=O)c3c2o1
Show InChI InChI=1S/C15H18N2O3/c1-9(18)16-8-7-11-4-3-10-5-6-12-14(13(10)11)20-15(17-12)19-2/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,18)
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n/an/a 0.280n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103449
PNG
(US8552037, 97)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(C)sc3c12
Show InChI InChI=1S/C15H18N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)
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n/an/a 0.280n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103442
PNG
(US8552037, 89)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(C)oc3c12
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)
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n/an/a 0.310n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103441
PNG
(US8552037, 87)
Show SMILES CC(=O)NCCC1CCc2ccc3ncoc3c12
Show InChI InChI=1S/C14H16N2O2/c1-9(17)15-7-6-11-3-2-10-4-5-12-14(13(10)11)18-8-16-12/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,17)
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n/an/a 0.310n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103436
PNG
(US8552037, 81)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(C)oc3c12 |w:5.4|
Show InChI InChI=1S/C15H16N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-7H,3-4,8H2,1-2H3,(H,16,18)
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n/an/a 0.330n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103452
PNG
(US8552037, 100)
Show SMILES CCc1nc2ccc3CCC(CCNC(C)=O)c3c2o1
Show InChI InChI=1S/C16H20N2O2/c1-3-14-18-13-7-6-11-4-5-12(8-9-17-10(2)19)15(11)16(13)20-14/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)
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n/an/a 0.360n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103436
PNG
(US8552037, 81)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(C)oc3c12 |w:5.4|
Show InChI InChI=1S/C15H16N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-7H,3-4,8H2,1-2H3,(H,16,18)
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n/an/a 0.370n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103452
PNG
(US8552037, 100)
Show SMILES CCc1nc2ccc3CCC(CCNC(C)=O)c3c2o1
Show InChI InChI=1S/C16H20N2O2/c1-3-14-18-13-7-6-11-4-5-12(8-9-17-10(2)19)15(11)16(13)20-14/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)
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n/an/a 0.410n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103439
PNG
(US8552037, 84)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(CCCCc4ccccc4)oc3c12 |w:5.4|
Show InChI InChI=1S/C24H26N2O2/c1-17(27)25-16-15-20-12-11-19-13-14-21-24(23(19)20)28-22(26-21)10-6-5-9-18-7-3-2-4-8-18/h2-4,7-8,13-15H,5-6,9-12,16H2,1H3,(H,25,27)
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n/an/a 0.430n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103454
PNG
(US8552037, 116)
Show SMILES COc1nc2ccc3CCC(CCNC(C)=O)c3c2o1
Show InChI InChI=1S/C15H18N2O3/c1-9(18)16-8-7-11-4-3-10-5-6-12-14(13(10)11)20-15(17-12)19-2/h5-6,11H,3-4,7-8H2,1-2H3,(H,16,18)
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n/an/a 0.540n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103453
PNG
(US8552037, 107)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(oc3c12)C1CC1
Show InChI InChI=1S/C17H20N2O2/c1-10(20)18-9-8-12-3-2-11-6-7-14-16(15(11)12)21-17(19-14)13-4-5-13/h6-7,12-13H,2-5,8-9H2,1H3,(H,18,20)
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n/an/a 0.660n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103453
PNG
(US8552037, 107)
Show SMILES CC(=O)NCCC1CCc2ccc3nc(oc3c12)C1CC1
Show InChI InChI=1S/C17H20N2O2/c1-10(20)18-9-8-12-3-2-11-6-7-14-16(15(11)12)21-17(19-14)13-4-5-13/h6-7,12-13H,2-5,8-9H2,1H3,(H,18,20)
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n/an/a 0.75n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103455
PNG
(US8552037, 121)
Show SMILES Cc1nc2ccc3CCC(CCNC(=O)C4CC4)c3c2o1
Show InChI InChI=1S/C17H20N2O2/c1-10-19-14-7-6-11-2-3-12(15(11)16(14)21-10)8-9-18-17(20)13-4-5-13/h6-7,12-13H,2-5,8-9H2,1H3,(H,18,20)
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n/an/a 0.770n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103441
PNG
(US8552037, 87)
Show SMILES CC(=O)NCCC1CCc2ccc3ncoc3c12
Show InChI InChI=1S/C14H16N2O2/c1-9(17)15-7-6-11-3-2-10-4-5-12-14(13(10)11)18-8-16-12/h4-5,8,11H,2-3,6-7H2,1H3,(H,15,17)
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n/an/a 0.880n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103447
PNG
(US8552037, 94)
Show SMILES CCC(=O)NCC[C@H]1CCc2ccc3nc(C)oc3c12 |r|
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)/t12-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103451
PNG
(US8552037, 99)
Show SMILES CC(=O)NCC[C@H]1CCc2ccc3nc(C)sc3c12 |r|
Show InChI InChI=1S/C15H18N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m1/s1
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n/an/a 8.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Homo sapiens (Human))
BDBM103444
PNG
(US8552037, 91)
Show SMILES CC(=O)NCC[C@H]1CCc2ccc3nc(C)oc3c12 |r|
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103447
PNG
(US8552037, 94)
Show SMILES CCC(=O)NCC[C@H]1CCc2ccc3nc(C)oc3c12 |r|
Show InChI InChI=1S/C16H20N2O2/c1-3-14(19)17-9-8-12-5-4-11-6-7-13-16(15(11)12)20-10(2)18-13/h6-7,12H,3-5,8-9H2,1-2H3,(H,17,19)/t12-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103444
PNG
(US8552037, 91)
Show SMILES CC(=O)NCC[C@H]1CCc2ccc3nc(C)oc3c12 |r|
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
Melatonin receptor type 1A


(Homo sapiens (Human))
BDBM103451
PNG
(US8552037, 99)
Show SMILES CC(=O)NCC[C@H]1CCc2ccc3nc(C)sc3c12 |r|
Show InChI InChI=1S/C15H18N2OS/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

US Patent


Assay Description
Binding assay using melatonin receptors 1 or 2.


US Patent US8552037 (2013)


BindingDB Entry DOI: 10.7270/Q2862F3N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%