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Compile Data Set for Download or QSAR

Found 150 hits with Last Name = 'landagaray' and Initial = 'e'   
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


(Homo sapiens (Human))
BDBM50230960
PNG
(CHEMBL4089965)
Show SMILES COc1ccc2cccc(CCC(=O)NS(C)(=O)=O)c2n1
Show InChI InChI=1S/C14H16N2O4S/c1-20-13-9-7-11-5-3-4-10(14(11)15-13)6-8-12(17)16-21(2,18)19/h3-5,7,9H,6,8H2,1-2H3,(H,16,17)
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0.0300n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230961
PNG
(CHEMBL4062947)
Show SMILES CCNC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C15H19N3O2/c1-3-16-15(19)17-10-9-12-6-4-5-11-7-8-13(20-2)18-14(11)12/h4-8H,3,9-10H2,1-2H3,(H2,16,17,19)
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0.0900n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230959
PNG
(CHEMBL4084612)
Show SMILES CNC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H17N3O2/c1-15-14(18)16-9-8-11-5-3-4-10-6-7-12(19-2)17-13(10)11/h3-7H,8-9H2,1-2H3,(H2,15,16,18)
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0.0900n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144221
PNG
(CHEMBL3759802)
Show SMILES COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
Show InChI InChI=1S/C17H17NO3/c1-11(19)18-8-7-13-10-21-16-6-4-12-3-5-14(20-2)9-15(12)17(13)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
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0.0900n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.100n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melatonin receptor


(Homo sapiens (Human))
BDBM50230951
PNG
(CHEMBL4095210)
Show SMILES CNC(=S)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H17N3OS/c1-15-14(19)16-9-8-11-5-3-4-10-6-7-12(18-2)17-13(10)11/h3-7H,8-9H2,1-2H3,(H2,15,16,19)
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0.100n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.120n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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0.120n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
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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0.150n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230955
PNG
(CHEMBL4102177)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-9-8-12-5-3-4-11-6-7-13(18-2)16-14(11)12/h3-7H,8-9H2,1-2H3,(H,15,17)
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0.200n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230958
PNG
(CHEMBL4071572)
Show SMILES COc1ccc2cccc(CCNC(N)=O)c2n1
Show InChI InChI=1S/C13H15N3O2/c1-18-11-6-5-9-3-2-4-10(12(9)16-11)7-8-15-13(14)17/h2-6H,7-8H2,1H3,(H3,14,15,17)
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0.200n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.200n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.210n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
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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0.230n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230956
PNG
(CHEMBL4079784)
Show SMILES CNC(=O)CCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H16N2O2/c1-15-12(17)8-6-10-4-3-5-11-7-9-13(18-2)16-14(10)11/h3-5,7,9H,6,8H2,1-2H3,(H,15,17)
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0.300n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230965
PNG
(CHEMBL4061905)
Show SMILES COc1ccc2cccc(CCC(=O)NCCF)c2n1
Show InChI InChI=1S/C15H17FN2O2/c1-20-14-8-6-12-4-2-3-11(15(12)18-14)5-7-13(19)17-10-9-16/h2-4,6,8H,5,7,9-10H2,1H3,(H,17,19)
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0.300n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230957
PNG
(CHEMBL4082097)
Show SMILES COC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H16N2O3/c1-18-12-7-6-10-4-3-5-11(13(10)16-12)8-9-15-14(17)19-2/h3-7H,8-9H2,1-2H3,(H,15,17)
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0.300n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230955
PNG
(CHEMBL4102177)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-9-8-12-5-3-4-11-6-7-13(18-2)16-14(11)12/h3-7H,8-9H2,1-2H3,(H,15,17)
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0.300n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
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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0.310n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
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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0.340n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144222
PNG
(CHEMBL3758717)
Show SMILES COc1ccc2ccc3oc(CNC(C)=O)cc3c2c1
Show InChI InChI=1S/C16H15NO3/c1-10(18)17-9-13-8-15-14-7-12(19-2)5-3-11(14)4-6-16(15)20-13/h3-8H,9H2,1-2H3,(H,17,18)
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0.400n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230952
PNG
(CHEMBL4079699)
Show SMILES CCNC(=S)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C15H19N3OS/c1-3-16-15(20)17-10-9-12-6-4-5-11-7-8-13(19-2)18-14(11)12/h4-8H,3,9-10H2,1-2H3,(H2,16,17,20)
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0.400n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230969
PNG
(CHEMBL4070527)
Show SMILES COc1ccc2cccc(CCC(=O)NC3CC3)c2n1
Show InChI InChI=1S/C16H18N2O2/c1-20-15-10-6-12-4-2-3-11(16(12)18-15)5-9-14(19)17-13-7-8-13/h2-4,6,10,13H,5,7-9H2,1H3,(H,17,19)
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0.5n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
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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0.520n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144226
PNG
(CHEMBL3758679)
Show SMILES COc1ccc2ccc3oc(CNC(=O)C4CC4)cc3c2c1
Show InChI InChI=1S/C18H17NO3/c1-21-13-6-4-11-5-7-17-16(15(11)8-13)9-14(22-17)10-19-18(20)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,19,20)
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0.600n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230959
PNG
(CHEMBL4084612)
Show SMILES CNC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H17N3O2/c1-15-14(18)16-9-8-11-5-3-4-10-6-7-12(19-2)17-13(10)11/h3-7H,8-9H2,1-2H3,(H2,15,16,18)
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0.600n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144219
PNG
(CHEMBL3758225)
Show SMILES COc1ccc2ccc3occ(CNC(C)=O)c3c2c1
Show InChI InChI=1S/C16H15NO3/c1-10(18)17-8-12-9-20-15-6-4-11-3-5-13(19-2)7-14(11)16(12)15/h3-7,9H,8H2,1-2H3,(H,17,18)
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0.700n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144310
PNG
(CHEMBL3759084)
Show SMILES COc1ccc2ccc3oc(CNC(=O)CF)cc3c2c1
Show InChI InChI=1S/C16H14FNO3/c1-20-11-4-2-10-3-5-15-14(13(10)6-11)7-12(21-15)9-18-16(19)8-17/h2-7H,8-9H2,1H3,(H,18,19)
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0.700n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230961
PNG
(CHEMBL4062947)
Show SMILES CCNC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C15H19N3O2/c1-3-16-15(19)17-10-9-12-6-4-5-11-7-8-13(20-2)18-14(11)12/h4-8H,3,9-10H2,1-2H3,(H2,16,17,19)
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0.800n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144368
PNG
(CHEMBL3759372)
Show SMILES CNC(=S)NCc1cc2c(ccc3ccc(OC)cc23)o1
Show InChI InChI=1S/C16H16N2O2S/c1-17-16(21)18-9-12-8-14-13-7-11(19-2)5-3-10(13)4-6-15(14)20-12/h3-8H,9H2,1-2H3,(H2,17,18,21)
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0.800n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230966
PNG
(CHEMBL4100108)
Show SMILES CCS(=O)(=O)NC(=O)CCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C15H18N2O4S/c1-3-22(19,20)17-13(18)9-7-11-5-4-6-12-8-10-14(21-2)16-15(11)12/h4-6,8,10H,3,7,9H2,1-2H3,(H,17,18)
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1n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144223
PNG
(CHEMBL3758720)
Show SMILES COc1ccc2ccc3oc(CCNC(C)=O)cc3c2c1
Show InChI InChI=1S/C17H17NO3/c1-11(19)18-8-7-14-10-16-15-9-13(20-2)5-3-12(15)4-6-17(16)21-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
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1.70n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144226
PNG
(CHEMBL3758679)
Show SMILES COc1ccc2ccc3oc(CNC(=O)C4CC4)cc3c2c1
Show InChI InChI=1S/C18H17NO3/c1-21-13-6-4-11-5-7-17-16(15(11)8-13)9-14(22-17)10-19-18(20)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,19,20)
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1.90n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230951
PNG
(CHEMBL4095210)
Show SMILES CNC(=S)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H17N3OS/c1-15-14(19)16-9-8-11-5-3-4-10-6-7-12(18-2)17-13(10)11/h3-7H,8-9H2,1-2H3,(H2,15,16,19)
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2n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230958
PNG
(CHEMBL4071572)
Show SMILES COc1ccc2cccc(CCNC(N)=O)c2n1
Show InChI InChI=1S/C13H15N3O2/c1-18-11-6-5-9-3-2-4-10(12(9)16-11)7-8-15-13(14)17/h2-6H,7-8H2,1H3,(H3,14,15,17)
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2n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144309
PNG
(CHEMBL3759160)
Show SMILES COc1ccc2ccc3occ(CNC(=O)CF)c3c2c1
Show InChI InChI=1S/C16H14FNO3/c1-20-12-4-2-10-3-5-14-16(13(10)6-12)11(9-21-14)8-18-15(19)7-17/h2-6,9H,7-8H2,1H3,(H,18,19)
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2.10n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144222
PNG
(CHEMBL3758717)
Show SMILES COc1ccc2ccc3oc(CNC(C)=O)cc3c2c1
Show InChI InChI=1S/C16H15NO3/c1-10(18)17-9-13-8-15-14-7-12(19-2)5-3-11(14)4-6-16(15)20-13/h3-8H,9H2,1-2H3,(H,17,18)
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2.10n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144221
PNG
(CHEMBL3759802)
Show SMILES COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
Show InChI InChI=1S/C17H17NO3/c1-11(19)18-8-7-13-10-21-16-6-4-12-3-5-14(20-2)9-15(12)17(13)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
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2.80n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230952
PNG
(CHEMBL4079699)
Show SMILES CCNC(=S)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C15H19N3OS/c1-3-16-15(20)17-10-9-12-6-4-5-11-7-8-13(19-2)18-14(11)12/h4-8H,3,9-10H2,1-2H3,(H2,16,17,20)
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4n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230962
PNG
(CHEMBL4094436)
Show SMILES COc1cnc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H16N2O2/c1-10(17)15-7-6-11-4-3-5-14-13(11)8-12(18-2)9-16-14/h3-5,8-9H,6-7H2,1-2H3,(H,15,17)
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4n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144312
PNG
(CHEMBL3759080)
Show SMILES CCNC(=O)NCc1cc2c(ccc3ccc(OC)cc23)o1
Show InChI InChI=1S/C17H18N2O3/c1-3-18-17(20)19-10-13-9-15-14-8-12(21-2)6-4-11(14)5-7-16(15)22-13/h4-9H,3,10H2,1-2H3,(H2,18,19,20)
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4.20n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144219
PNG
(CHEMBL3758225)
Show SMILES COc1ccc2ccc3occ(CNC(C)=O)c3c2c1
Show InChI InChI=1S/C16H15NO3/c1-10(18)17-8-12-9-20-15-6-4-11-3-5-13(19-2)7-14(11)16(12)15/h3-7,9H,8H2,1-2H3,(H,17,18)
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4.60n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230960
PNG
(CHEMBL4089965)
Show SMILES COc1ccc2cccc(CCC(=O)NS(C)(=O)=O)c2n1
Show InChI InChI=1S/C14H16N2O4S/c1-20-13-9-7-11-5-3-4-10(14(11)15-13)6-8-12(17)16-21(2,18)19/h3-5,7,9H,6,8H2,1-2H3,(H,16,17)
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5n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144310
PNG
(CHEMBL3759084)
Show SMILES COc1ccc2ccc3oc(CNC(=O)CF)cc3c2c1
Show InChI InChI=1S/C16H14FNO3/c1-20-11-4-2-10-3-5-15-14(13(10)6-11)7-12(21-15)9-18-16(19)8-17/h2-7H,8-9H2,1H3,(H,18,19)
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5.70n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230964
PNG
(CHEMBL4097693)
Show SMILES COc1cnc2cccc(CCNC(=O)CF)c2c1
Show InChI InChI=1S/C14H15FN2O2/c1-19-11-7-12-10(5-6-16-14(18)8-15)3-2-4-13(12)17-9-11/h2-4,7,9H,5-6,8H2,1H3,(H,16,18)
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6n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230957
PNG
(CHEMBL4082097)
Show SMILES COC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H16N2O3/c1-18-12-7-6-10-4-3-5-11(13(10)16-12)8-9-15-14(17)19-2/h3-7H,8-9H2,1-2H3,(H,15,17)
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7n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144369
PNG
(CHEMBL3759677)
Show SMILES CCNC(=S)NCc1cc2c(ccc3ccc(OC)cc23)o1
Show InChI InChI=1S/C17H18N2O2S/c1-3-18-17(22)19-10-13-9-15-14-8-12(20-2)6-4-11(14)5-7-16(15)21-13/h4-9H,3,10H2,1-2H3,(H2,18,19,22)
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7n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230956
PNG
(CHEMBL4079784)
Show SMILES CNC(=O)CCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H16N2O2/c1-15-12(17)8-6-10-4-3-5-11-7-9-13(18-2)16-14(10)11/h3-5,7,9H,6,8H2,1-2H3,(H,15,17)
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8n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 mins


Eur J Med Chem 127: 621-631 (2017)


Article DOI: 10.1016/j.ejmech.2016.12.013
BindingDB Entry DOI: 10.7270/Q24F1SZS
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144309
PNG
(CHEMBL3759160)
Show SMILES COc1ccc2ccc3occ(CNC(=O)CF)c3c2c1
Show InChI InChI=1S/C16H14FNO3/c1-20-12-4-2-10-3-5-14-16(13(10)6-12)11(9-21-14)8-18-15(19)7-17/h2-6,9H,7-8H2,1H3,(H,18,19)
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9.90n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144223
PNG
(CHEMBL3758720)
Show SMILES COc1ccc2ccc3oc(CCNC(C)=O)cc3c2c1
Show InChI InChI=1S/C17H17NO3/c1-11(19)18-8-7-14-10-16-15-9-13(20-2)5-3-12(15)4-6-17(16)21-14/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
PDB

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10n/an/an/an/an/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins


Eur J Med Chem 109: 360-70 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.047
BindingDB Entry DOI: 10.7270/Q2VM4F3T
More data for this
Ligand-Target Pair
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