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Compile Data Set for Download or QSAR

Found 1165 hits with Last Name = 'chavatte' and Initial = 'p'   
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))
BDBM50114703
PNG
(CHEMBL287560 | N-[2-(5-Methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H19NO3/c1-13(21)20-11-10-16-17-12-15(22-2)8-9-18(17)23-19(16)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
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0.0100n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114725
PNG
(CHEMBL314512 | N-[2-(5-Methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(=O)C=C)c2c1)-c1ccccc1
Show InChI InChI=1S/C20H19NO3/c1-3-19(22)21-12-11-16-17-13-15(23-2)9-10-18(17)24-20(16)14-7-5-4-6-8-14/h3-10,13H,1,11-12H2,2H3,(H,21,22)
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0.0100n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114718
PNG
(But-3-enoic acid [2-(5-methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(=O)CC=C)c2c1)-c1ccccc1
Show InChI InChI=1S/C21H21NO3/c1-3-7-20(23)22-13-12-17-18-14-16(24-2)10-11-19(18)25-21(17)15-8-5-4-6-9-15/h3-6,8-11,14H,1,7,12-13H2,2H3,(H,22,23)
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0.0100n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114703
PNG
(CHEMBL287560 | N-[2-(5-Methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H19NO3/c1-13(21)20-11-10-16-17-12-15(22-2)8-9-18(17)23-19(16)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
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0.0200n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114718
PNG
(But-3-enoic acid [2-(5-methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(=O)CC=C)c2c1)-c1ccccc1
Show InChI InChI=1S/C21H21NO3/c1-3-7-20(23)22-13-12-17-18-14-16(24-2)10-11-19(18)25-21(17)15-8-5-4-6-9-15/h3-6,8-11,14H,1,7,12-13H2,2H3,(H,22,23)
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0.0200n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114725
PNG
(CHEMBL314512 | N-[2-(5-Methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(=O)C=C)c2c1)-c1ccccc1
Show InChI InChI=1S/C20H19NO3/c1-3-19(22)21-12-11-16-17-13-15(23-2)9-10-18(17)24-20(16)14-7-5-4-6-8-14/h3-10,13H,1,11-12H2,2H3,(H,21,22)
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0.0200n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125758
PNG
(CHEMBL14417 | N-[2-(7-{10-[8-(2-Acetylamino-ethyl)...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C38H48N2O4/c1-29(41)39-23-21-33-15-11-13-31-17-19-35(27-37(31)33)43-25-9-7-5-3-4-6-8-10-26-44-36-20-18-32-14-12-16-34(38(32)28-36)22-24-40-30(2)42/h11-20,27-28H,3-10,21-26H2,1-2H3,(H,39,41)(H,40,42)
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0.0300n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125758
PNG
(CHEMBL14417 | N-[2-(7-{10-[8-(2-Acetylamino-ethyl)...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C38H48N2O4/c1-29(41)39-23-21-33-15-11-13-31-17-19-35(27-37(31)33)43-25-9-7-5-3-4-6-8-10-26-44-36-20-18-32-14-12-16-34(38(32)28-36)22-24-40-30(2)42/h11-20,27-28H,3-10,21-26H2,1-2H3,(H,39,41)(H,40,42)
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0.0400n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114732
PNG
(1-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-3...)
Show SMILES CNC(=O)NCCc1c(oc2ccc(OC)cc12)-c1ccccc1
Show InChI InChI=1S/C19H20N2O3/c1-20-19(22)21-11-10-15-16-12-14(23-2)8-9-17(16)24-18(15)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,20,21,22)
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0.0400n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114732
PNG
(1-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-3...)
Show SMILES CNC(=O)NCCc1c(oc2ccc(OC)cc12)-c1ccccc1
Show InChI InChI=1S/C19H20N2O3/c1-20-19(22)21-11-10-15-16-12-14(23-2)8-9-17(16)24-18(15)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,20,21,22)
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0.0400n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
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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0.0500n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125752
PNG
(CHEMBL14136 | N-[2-(7-{8-[8-(2-Acetylamino-ethyl)-...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C36H44N2O4/c1-27(39)37-21-19-31-13-9-11-29-15-17-33(25-35(29)31)41-23-7-5-3-4-6-8-24-42-34-18-16-30-12-10-14-32(36(30)26-34)20-22-38-28(2)40/h9-18,25-26H,3-8,19-24H2,1-2H3,(H,37,39)(H,38,40)
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0.0500n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125755
PNG
(CHEMBL273787 | N-[2-(7-{5-[8-(2-Acetylamino-ethyl)...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C33H38N2O4/c1-24(36)34-18-16-28-10-6-8-26-12-14-30(22-32(26)28)38-20-4-3-5-21-39-31-15-13-27-9-7-11-29(33(27)23-31)17-19-35-25(2)37/h6-15,22-23H,3-5,16-21H2,1-2H3,(H,34,36)(H,35,37)
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0.0500n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
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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0.0600n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melatonin receptor


(Homo sapiens (Human))
BDBM50114707
PNG
(But-3-enoic acid [2-(2-benzyl-5-methoxy-benzofuran...)
Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)CC=C)c2c1
Show InChI InChI=1S/C22H23NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h3-6,8-11,15H,1,7,12-14H2,2H3,(H,23,24)
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0.0600n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316694
PNG
(CHEMBL1095196 | N-[2-(7-{4-[8-(Methoxycarbonylmeth...)
Show SMILES COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H33NO5/c1-22(33)32-16-15-25-9-5-7-23-11-13-27(20-29(23)25)36-17-3-4-18-37-28-14-12-24-8-6-10-26(30(24)21-28)19-31(34)35-2/h5-14,20-21H,3-4,15-19H2,1-2H3,(H,32,33)
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0.0700n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


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


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125753
PNG
(CHEMBL13985 | N-[2-(7-{6-[8-(2-Acetylamino-ethyl)-...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C34H40N2O4/c1-25(37)35-19-17-29-11-7-9-27-13-15-31(23-33(27)29)39-21-5-3-4-6-22-40-32-16-14-28-10-8-12-30(34(28)24-32)18-20-36-26(2)38/h7-16,23-24H,3-6,17-22H2,1-2H3,(H,35,37)(H,36,38)
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0.0800n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316692
PNG
(CHEMBL1094212 | N-[2-(7-{4-(4'-Hydroxymethylbiphen...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(CO)cc3)cc12
Show InChI InChI=1S/C31H33NO4/c1-23(34)32-18-17-28-6-4-5-27-13-16-30(21-31(27)28)36-20-3-2-19-35-29-14-11-26(12-15-29)25-9-7-24(22-33)8-10-25/h4-16,21,33H,2-3,17-20,22H2,1H3,(H,32,34)
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0.0900n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


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


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114701
PNG
(But-3-enoic acid {2-[5-methoxy-2-(3-methoxy-benzyl...)
Show SMILES COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(=O)CC=C)c1
Show InChI InChI=1S/C23H25NO4/c1-4-6-23(25)24-12-11-19-20-15-18(27-3)9-10-21(20)28-22(19)14-16-7-5-8-17(13-16)26-2/h4-5,7-10,13,15H,1,6,11-12,14H2,2-3H3,(H,24,25)
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0.110n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
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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0.120n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
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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0.140n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
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



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125752
PNG
(CHEMBL14136 | N-[2-(7-{8-[8-(2-Acetylamino-ethyl)-...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C36H44N2O4/c1-27(39)37-21-19-31-13-9-11-29-15-17-33(25-35(29)31)41-23-7-5-3-4-6-8-24-42-34-18-16-30-12-10-14-32(36(30)26-34)20-22-38-28(2)40/h9-18,25-26H,3-8,19-24H2,1-2H3,(H,37,39)(H,38,40)
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0.180n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114712
PNG
(CHEMBL96859 | N-[2-(2-Benzyl-5-methoxy-benzofuran-...)
Show SMILES CCCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12
Show InChI InChI=1S/C22H25NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,23,24)
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0.200n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114720
PNG
(But-2-enoic acid [2-(5-methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(=O)\C=C\C)c2c1)-c1ccccc1
Show InChI InChI=1S/C21H21NO3/c1-3-7-20(23)22-13-12-17-18-14-16(24-2)10-11-19(18)25-21(17)15-8-5-4-6-9-15/h3-11,14H,12-13H2,1-2H3,(H,22,23)/b7-3+
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0.210n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114714
PNG
(CHEMBL94607 | N-{2-[2-(3-Chloro-benzyl)-5-methoxy-...)
Show SMILES COc1ccc2oc(Cc3cccc(Cl)c3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H20ClNO3/c1-13(23)22-9-8-17-18-12-16(24-2)6-7-19(18)25-20(17)11-14-4-3-5-15(21)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,23)
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0.220n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114730
PNG
(CHEMBL95166 | N-{2-[2-(3-Fluoro-benzyl)-5-methoxy-...)
Show SMILES COc1ccc2oc(Cc3cccc(F)c3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H20FNO3/c1-13(23)22-9-8-17-18-12-16(24-2)6-7-19(18)25-20(17)11-14-4-3-5-15(21)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,23)
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0.230n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316693
PNG
(CHEMBL1095831 | N-[2-(7-{4-[8-(2-Acetylaminoethyl)...)
Show SMILES CC(=O)NCCC1CCCc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H40N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5,7,9,11-14,21-22,28H,3-4,6,8,10,15-20H2,1-2H3,(H,33,35)(H,34,36)
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0.260n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


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


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397390
PNG
(CHEMBL2170545)
Show SMILES CCCCCn1cc(C(=O)NC2C3CC4CC(C3)CC2C4)c(=O)cc1C |TLB:20:19:17:13.14.15,THB:20:14:11.19.18:17,15:14:11:18.16.17,15:16:11:13.20.14,10:11:17:13.14.15,(25.24,-38.56,;26.58,-39.34,;27.92,-38.57,;29.25,-39.35,;30.6,-38.58,;31.93,-39.36,;33.27,-38.58,;34.61,-39.36,;35.95,-38.59,;35.95,-37.05,;37.29,-39.37,;38.73,-38.65,;39.88,-37.52,;41.08,-38.03,;42.39,-37.76,;42.46,-36.35,;41.19,-35.76,;39.93,-36.15,;40.18,-36.86,;40.13,-38.32,;41.4,-38.9,;34.61,-40.91,;35.94,-41.68,;33.26,-41.67,;31.93,-40.9,;30.59,-41.67,)|
Show InChI InChI=1S/C22H32N2O2/c1-3-4-5-6-24-13-19(20(25)7-14(24)2)22(26)23-21-17-9-15-8-16(11-17)12-18(21)10-15/h7,13,15-18,21H,3-6,8-12H2,1-2H3,(H,23,26)
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0.260n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
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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0.270n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50397387
PNG
(CHEMBL2170532)
Show SMILES Cc1cc(=O)c(cn1CCCC(F)(F)F)C(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:17:18:21:25.24.23,THB:19:20:23:27.18.26,19:18:21.20.25:23,26:18:21:25.24.23,26:24:21:27.19.18|
Show InChI InChI=1S/C21H27F3N2O2/c1-13-5-18(27)17(12-26(13)4-2-3-21(22,23)24)19(28)25-20-9-14-6-15(10-20)8-16(7-14)11-20/h5,12,14-16H,2-4,6-11H2,1H3,(H,25,28)
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0.280n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting


J Med Chem 55: 8948-52 (2012)


Article DOI: 10.1021/jm3008568
BindingDB Entry DOI: 10.7270/Q27H1KQS
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



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114704
PNG
(CHEMBL33549 | N-(2-(5-methoxy-2-(3-methoxybenzyl)b...)
Show SMILES COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)c1
Show InChI InChI=1S/C21H23NO4/c1-14(23)22-10-9-18-19-13-17(25-3)7-8-20(19)26-21(18)12-15-5-4-6-16(11-15)24-2/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,23)
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0.320n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
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



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114702
PNG
(CHEMBL329960 | N-{2-[5-Methoxy-2-(2-methoxy-benzyl...)
Show SMILES COc1ccc2oc(Cc3ccccc3OC)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C21H23NO4/c1-14(23)22-11-10-17-18-13-16(24-2)8-9-20(18)26-21(17)12-15-6-4-5-7-19(15)25-3/h4-9,13H,10-12H2,1-3H3,(H,22,23)
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0.340n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114709
PNG
(1-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-3...)
Show SMILES CNC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12
Show InChI InChI=1S/C20H22N2O3/c1-21-20(23)22-11-10-16-17-13-15(24-2)8-9-18(17)25-19(16)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H2,21,22,23)
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0.350n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316696
PNG
(CHEMBL1095197 | N-[2-(7-{4-[6-(1-Methoxycarbonylet...)
Show SMILES COC(=O)C(C)c1ccc2cc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)ccc2c1
Show InChI InChI=1S/C32H35NO5/c1-22(32(35)36-3)26-9-10-28-20-29(14-12-27(28)19-26)37-17-4-5-18-38-30-13-11-24-7-6-8-25(31(24)21-30)15-16-33-23(2)34/h6-14,19-22H,4-5,15-18H2,1-3H3,(H,33,34)
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0.370n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


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


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50081023
PNG
(CHEMBL3421699)
Show SMILES CCCCCn1cc2c(nn(CC34CC5CC(CC(C5)C3)C4)c2=O)c2ccccc12 |TLB:19:14:21:18.20.17,19:18:21:13.14.15,THB:17:16:13:19.18.20,17:18:13:21.15.16|
Show InChI InChI=1S/C26H33N3O/c1-2-3-6-9-28-16-22-24(21-7-4-5-8-23(21)28)27-29(25(22)30)17-26-13-18-10-19(14-26)12-20(11-18)15-26/h4-5,7-8,16,18-20H,2-3,6,9-15,17H2,1H3
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0.390n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114721
PNG
(CHEMBL328617 | N-[2-(2-Benzyl-5-methoxy-benzofuran...)
Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)CI)c2c1
Show InChI InChI=1S/C20H20INO3/c1-24-15-7-8-18-17(12-15)16(9-10-22-20(23)13-21)19(25-18)11-14-5-3-2-4-6-14/h2-8,12H,9-11,13H2,1H3,(H,22,23)
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0.410n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
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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0.410n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125754
PNG
(CHEMBL429392 | N,N'-(2,2'-(7,7'-(propane-1,3-diylb...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H34N2O4/c1-22(34)32-16-14-26-8-3-6-24-10-12-28(20-30(24)26)36-18-5-19-37-29-13-11-25-7-4-9-27(31(25)21-29)15-17-33-23(2)35/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,32,34)(H,33,35)
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0.5n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114715
PNG
(CHEMBL317742 | N-{2-[5-Methoxy-2-(4-methoxy-benzyl...)
Show SMILES COc1ccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)cc1
Show InChI InChI=1S/C21H23NO4/c1-14(23)22-11-10-18-19-13-17(25-3)8-9-20(19)26-21(18)12-15-4-6-16(24-2)7-5-15/h4-9,13H,10-12H2,1-3H3,(H,22,23)
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0.5n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316695
PNG
(CHEMBL1094546 | N-[2-(7-{4-(4'-Carboxybiphenyl-4-y...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(cc3)C(O)=O)cc12
Show InChI InChI=1S/C31H31NO5/c1-22(33)32-18-17-26-6-4-5-25-13-16-29(21-30(25)26)37-20-3-2-19-36-28-14-11-24(12-15-28)23-7-9-27(10-8-23)31(34)35/h4-16,21H,2-3,17-20H2,1H3,(H,32,33)(H,34,35)
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0.550n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


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


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125757
PNG
(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
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0.600n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


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


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125757
PNG
(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
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0.600n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50081021
PNG
(CHEMBL3421697)
Show SMILES CCCCCn1cc2c(nn(CC3CCCCC3)c2=O)c2ccccc12
Show InChI InChI=1S/C22H29N3O/c1-2-3-9-14-24-16-19-21(18-12-7-8-13-20(18)24)23-25(22(19)26)15-17-10-5-4-6-11-17/h7-8,12-13,16-17H,2-6,9-11,14-15H2,1H3
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0.620n/an/an/an/an/an/an/an/a



Universit£ de Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis


ACS Med Chem Lett 6: 198-203 (2015)


Article DOI: 10.1021/ml500439x
BindingDB Entry DOI: 10.7270/Q20K2B8Z
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316691
PNG
(CHEMBL1096991 | N-[2-(7-{4-[8-(2-(2-Furoyl)aminoet...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)c5ccco5)c4c3)cc12
Show InChI InChI=1S/C35H36N2O5/c1-25(38)36-18-16-28-9-4-7-26-12-14-30(23-32(26)28)40-20-2-3-21-41-31-15-13-27-8-5-10-29(33(27)24-31)17-19-37-35(39)34-11-6-22-42-34/h4-15,22-24H,2-3,16-21H2,1H3,(H,36,38)(H,37,39)
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0.640n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


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


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114719
PNG
(CHEMBL96548 | N-[2-(2-Benzyl-5-methoxy-benzofuran-...)
Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)C=C)c2c1
Show InChI InChI=1S/C21H21NO3/c1-3-21(23)22-12-11-17-18-14-16(24-2)9-10-19(18)25-20(17)13-15-7-5-4-6-8-15/h3-10,14H,1,11-13H2,2H3,(H,22,23)
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0.690n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50334590
PNG
(CHEMBL1641956 | N3-(1-Adamantyl)-6-(2-chlorophenyl...)
Show SMILES CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)cc1-c1ccccc1Cl |TLB:14:15:13.12.18:19,THB:16:15:12:18.17.19,16:17:14.15.20:12,14:13:15.20.16:19|
Show InChI InChI=1S/C27H33ClN2O2/c1-2-3-6-9-30-17-22(25(31)13-24(30)21-7-4-5-8-23(21)28)26(32)29-27-14-18-10-19(15-27)12-20(11-18)16-27/h4-5,7-8,13,17-20H,2-3,6,9-12,14-16H2,1H3,(H,29,32)
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0.700n/an/an/an/an/an/an/an/a



Universite£? Lille-Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr


J Med Chem 53: 7918-31 (2010)


Article DOI: 10.1021/jm100286k
BindingDB Entry DOI: 10.7270/Q2BR8SFP
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114730
PNG
(CHEMBL95166 | N-{2-[2-(3-Fluoro-benzyl)-5-methoxy-...)
Show SMILES COc1ccc2oc(Cc3cccc(F)c3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H20FNO3/c1-13(23)22-9-8-17-18-12-16(24-2)6-7-19(18)25-20(17)11-14-4-3-5-15(21)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,23)
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0.75n/an/an/an/an/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...


J Med Chem 45: 2788-800 (2002)


BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
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