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Compile Data Set for Download or QSAR

Found 357 hits of ic50 for Melatonin receptor
having polymerids = 49000723,49000726,5661,5662 and
complexids = 50000736,50006163   
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
Melatonin receptor


(Homo sapiens (Human))
BDBM29611
PNG
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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n/an/a 0.00500n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin stimulated calcium dependent dopamine release from the rabbit retina.


J Med Chem 36: 2891-8 (1993)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50231291
PNG
(CHEMBL421013)
Show SMILES COc1cc2c(CCNC(C)=O)c(C)[nH]c2c(Cl)c1Cl
Show InChI InChI=1S/C14H16Cl2N2O2/c1-7-9(4-5-17-8(2)19)10-6-11(20-3)12(15)13(16)14(10)18-7/h6,18H,4-5H2,1-3H3,(H,17,19)
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n/an/a 0.0100n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin stimulated calcium dependent dopamine release from the rabbit retina.


J Med Chem 36: 2891-8 (1993)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408628
PNG
(CHEMBL139855)
Show SMILES COc1cnc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C18H19N3O2/c1-12(22)19-9-8-15-16-10-14(23-2)11-20-18(16)21-17(15)13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,19,22)(H,20,21)
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n/an/a 0.0126n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114716
PNG
(CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...)
Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H21NO3/c1-14(22)21-11-10-17-18-13-16(23-2)8-9-19(18)24-20(17)12-15-6-4-3-5-7-15/h3-9,13H,10-12H2,1-2H3,(H,21,22)
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n/an/a 0.0158n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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n/an/a 0.0170n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin stimulated calcium dependent dopamine release from the rabbit retina.


J Med Chem 36: 2891-8 (1993)

More data for this
Ligand-Target Pair
Melatonin receptor


(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


(Homo sapiens (Human))
BDBM103446
PNG
(US8552037, 93)
Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc3nc(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)/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


(Homo sapiens (Human))
BDBM103450
PNG
(US8552037, 98)
Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(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)/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


(Homo sapiens (Human))
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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n/an/a 0.0400n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin stimulated calcium dependent dopamine release from the rabbit retina.


J Med Chem 36: 2891-8 (1993)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103446
PNG
(US8552037, 93)
Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc3nc(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)/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


(Homo sapiens (Human))
BDBM103443
PNG
(US8552037, 90)
Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(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)/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


(Homo sapiens (Human))
BDBM50231292
PNG
(CHEMBL95920)
Show SMILES COc1cccc2CCC(Cc12)NC(=O)CCl
Show InChI InChI=1S/C13H16ClNO2/c1-17-12-4-2-3-9-5-6-10(7-11(9)12)15-13(16)8-14/h2-4,10H,5-8H2,1H3,(H,15,16)
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n/an/a 0.0630n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin stimulated calcium dependent dopamine release from the rabbit retina.


J Med Chem 36: 2891-8 (1993)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103437
PNG
(US8552037, 82)
Show SMILES CC(=O)NCCC1=CCc2ccc3nc(C)oc3c12
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


(Homo sapiens (Human))
BDBM103439
PNG
(US8552037, 84)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(CCCCc4ccccc4)oc3c12
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


(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


(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


(Homo sapiens (Human))
BDBM103450
PNG
(US8552037, 98)
Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(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)/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


(Homo sapiens (Human))
BDBM103443
PNG
(US8552037, 90)
Show SMILES CC(=O)NCC[C@@H]1CCc2ccc3nc(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)/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


(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


(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


(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


(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


(Homo sapiens (Human))
BDBM50286970
PNG
(CHEMBL11356 | N-[2-(3H-Benzo[f]chromen-10-yl)-ethy...)
Show SMILES CC(=O)NCCc1cccc2ccc3OCC=Cc3c12
Show InChI InChI=1S/C17H17NO2/c1-12(19)18-10-9-14-5-2-4-13-7-8-16-15(17(13)14)6-3-11-20-16/h2-8H,9-11H2,1H3,(H,18,19)
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n/an/a 0.158n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103440
PNG
(US8552037, 86)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(C)sc3c12
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


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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n/an/a 0.200n/an/an/an/an/an/a



Université de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 4954-62 (2008)


Article DOI: 10.1016/j.bmc.2008.03.036
BindingDB Entry DOI: 10.7270/Q2JM29DN
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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n/an/a 0.200n/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to human MT1 receptor


Eur J Med Chem 46: 1622-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.010
BindingDB Entry DOI: 10.7270/Q2PZ594W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103438
PNG
(US8552037, 83)
Show SMILES CCC(=O)NCC=C1CCc2ccc3nc(C)oc3c12
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


(Homo sapiens (Human))
BDBM103440
PNG
(US8552037, 86)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(C)sc3c12
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


(Homo sapiens (Human))
BDBM103437
PNG
(US8552037, 82)
Show SMILES CC(=O)NCCC1=CCc2ccc3nc(C)oc3c12
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


(Homo sapiens (Human))
BDBM103438
PNG
(US8552037, 83)
Show SMILES CCC(=O)NCC=C1CCc2ccc3nc(C)oc3c12
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


(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


(Homo sapiens (Human))
BDBM50286973
PNG
(CHEMBL274358 | N-[2-(2,3-Dihydro-1H-benzo[f]chrome...)
Show SMILES CC(=O)NCCc1cccc2ccc3OCCCc3c12
Show InChI InChI=1S/C17H19NO2/c1-12(19)18-10-9-14-5-2-4-13-7-8-16-15(17(13)14)6-3-11-20-16/h2,4-5,7-8H,3,6,9-11H2,1H3,(H,18,19)
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n/an/a 0.251n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair
Melatonin receptor


(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


(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


(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


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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n/an/a 0.300n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro receptor binding at MT2 (Melatonin) receptor.


Bioorg Med Chem Lett 13: 1199-202 (2003)


Article DOI: 10.1016/s0960-894x(03)00090-8
BindingDB Entry DOI: 10.7270/Q2C24VTB
More data for this
Ligand-Target Pair
Melatonin receptor


(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


(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


(Homo sapiens (Human))
BDBM50408640
PNG
(CHEMBL337764)
Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C22H21NO3/c1-15(24)23-11-10-18-13-19(22(25)16-6-4-3-5-7-16)12-17-8-9-20(26-2)14-21(17)18/h3-9,12-14H,10-11H2,1-2H3,(H,23,24)
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n/an/a 0.316n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM103436
PNG
(US8552037, 81)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(C)oc3c12
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


(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


(Homo sapiens (Human))
BDBM103436
PNG
(US8552037, 81)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(C)oc3c12
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


(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


(Homo sapiens (Human))
BDBM103439
PNG
(US8552037, 84)
Show SMILES CC(=O)NCC=C1CCc2ccc3nc(CCCCc4ccccc4)oc3c12
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


(Homo sapiens (Human))
BDBM50045843
PNG
(8-M-PDOT | CHEMBL99377 | N-(8-Methoxy-1,2,3,4-tetr...)
Show SMILES CCC(=O)NC1CCc2cccc(OC)c2C1
Show InChI InChI=1S/C14H19NO2/c1-3-14(16)15-11-8-7-10-5-4-6-13(17-2)12(10)9-11/h4-6,11H,3,7-9H2,1-2H3,(H,15,16)
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n/an/a 0.480n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]iodomelatonin stimulated calcium dependent dopamine release from the rabbit retina.


J Med Chem 36: 2891-8 (1993)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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n/an/a 0.530n/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Binding affinity to human MT2 receptor


Eur J Med Chem 46: 1622-9 (2011)


Article DOI: 10.1016/j.ejmech.2011.02.010
BindingDB Entry DOI: 10.7270/Q2PZ594W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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n/an/a 0.530n/an/an/an/an/an/a



Université de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 4954-62 (2008)


Article DOI: 10.1016/j.bmc.2008.03.036
BindingDB Entry DOI: 10.7270/Q2JM29DN
More data for this
Ligand-Target Pair
Melatonin receptor


(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


(Homo sapiens (Human))
BDBM50037242
PNG
(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
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PubMed
n/an/a 0.600n/an/an/an/an/an/a



Université de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells


Bioorg Med Chem 16: 4954-62 (2008)


Article DOI: 10.1016/j.bmc.2008.03.036
BindingDB Entry DOI: 10.7270/Q2JM29DN
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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n/an/a 0.600n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro receptor binding at MT1 (Melatonin) receptor.


Bioorg Med Chem Lett 13: 1199-202 (2003)


Article DOI: 10.1016/s0960-894x(03)00090-8
BindingDB Entry DOI: 10.7270/Q2C24VTB
More data for this
Ligand-Target Pair
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