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Compile Data Set for Download or QSAR

Found 3491 hits Enz. Inhib. hit(s) with Target = 'Melatonin receptor'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor type 1C


(Gallus gallus)
BDBM50472537
PNG
(CHEMBL12664)
Show SMILES CCC(=O)N[C@H]1Cc2cccc3ccc(OC)c(C1)c23
Show InChI InChI=1S/C17H19NO2/c1-3-16(19)18-13-9-12-6-4-5-11-7-8-15(20-2)14(10-13)17(11)12/h4-8,13H,3,9-10H2,1-2H3,(H,18,19)/t13-/m0/s1
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n/an/an/an/a 0n/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Functional activity against melatonin receptor in lightening Xenopus laevis tadpole skin


J Med Chem 42: 1100-5 (1999)


Article DOI: 10.1021/jm9804937
BindingDB Entry DOI: 10.7270/Q28G8PDM
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50472540
PNG
(CHEMBL12815)
Show SMILES CCCC(=O)N[C@H]1Cc2cccc3ccc(OC)c(C1)c23
Show InChI InChI=1S/C18H21NO2/c1-3-5-17(20)19-14-10-13-7-4-6-12-8-9-16(21-2)15(11-14)18(12)13/h4,6-9,14H,3,5,10-11H2,1-2H3,(H,19,20)/t14-/m0/s1
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n/an/an/an/a 0n/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Functional activity against melatonin receptor in lightening Xenopus laevis tadpole skin


J Med Chem 42: 1100-5 (1999)


Article DOI: 10.1021/jm9804937
BindingDB Entry DOI: 10.7270/Q28G8PDM
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50472541
PNG
(CHEMBL273888)
Show SMILES CCC(=O)N[C@@H]1Cc2cccc3ccc(OC)c(C1)c23
Show InChI InChI=1S/C17H19NO2/c1-3-16(19)18-13-9-12-6-4-5-11-7-8-15(20-2)14(10-13)17(11)12/h4-8,13H,3,9-10H2,1-2H3,(H,18,19)/t13-/m1/s1
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n/an/an/an/a 0n/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Functional activity against melatonin receptor in lightening Xenopus laevis tadpole skin


J Med Chem 42: 1100-5 (1999)


Article DOI: 10.1021/jm9804937
BindingDB Entry DOI: 10.7270/Q28G8PDM
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50472538
PNG
(CHEMBL12418)
Show SMILES CCCC(=O)N[C@@H]1Cc2cccc3ccc(OC)c(C1)c23
Show InChI InChI=1S/C18H21NO2/c1-3-5-17(20)19-14-10-13-7-4-6-12-8-9-16(21-2)15(11-14)18(12)13/h4,6-9,14H,3,5,10-11H2,1-2H3,(H,19,20)/t14-/m1/s1
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n/an/an/an/a 0n/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Functional activity against melatonin receptor in lightening Xenopus laevis tadpole skin


J Med Chem 42: 1100-5 (1999)


Article DOI: 10.1021/jm9804937
BindingDB Entry DOI: 10.7270/Q28G8PDM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50347588
PNG
(CHEMBL1802025)
Show SMILES CCc1nn2ccc3OCCc3c2c1CCNC(C)=O
Show InChI InChI=1S/C15H19N3O2/c1-3-13-11(4-7-16-10(2)19)15-12-6-9-20-14(12)5-8-18(15)17-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19)
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n/an/an/an/a 0.0210n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human MT1 receptor expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP release after 30 mins by multilabel p...


J Med Chem 54: 4207-18 (2011)


Article DOI: 10.1021/jm200385u
BindingDB Entry DOI: 10.7270/Q2HT2PN3
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50426655
PNG
(CHEMBL2326201)
Show SMILES CCC(=O)NCCCc1cc(OC)ccc1CCc1cccc(OC)c1
Show InChI InChI=1S/C22H29NO3/c1-4-22(24)23-14-6-8-19-16-21(26-3)13-12-18(19)11-10-17-7-5-9-20(15-17)25-2/h5,7,9,12-13,15-16H,4,6,8,10-11,14H2,1-3H3,(H,23,24)
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n/an/an/an/a 0.0240n/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cells coexpressing Galpha protein 16z25 assessed as increase in calcium mobilization measured...


Bioorg Med Chem 21: 547-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.060
BindingDB Entry DOI: 10.7270/Q29W0GTX
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/an/an/a 0.0260n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human MT1 receptor expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP release after 30 mins by multilabel p...


J Med Chem 54: 4207-18 (2011)


Article DOI: 10.1021/jm200385u
BindingDB Entry DOI: 10.7270/Q2HT2PN3
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470187
PNG
(CHEMBL428882)
Show SMILES COc1ccc2ccc(OC)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C16H19NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-7,10H,8-9H2,1-3H3,(H,17,18)
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n/an/an/an/a 0.0370n/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Functional activity against melatonin receptor in lightening Xenopus laevis tadpole skin


J Med Chem 42: 1100-5 (1999)


Article DOI: 10.1021/jm9804937
BindingDB Entry DOI: 10.7270/Q28G8PDM
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50464413
PNG
(CHEMBL4281712)
Show SMILES COc1ccc2ccc3CCC(CNC(C)=O)c3c2n1
Show InChI InChI=1S/C16H18N2O2/c1-10(19)17-9-13-6-4-11-3-5-12-7-8-14(20-2)18-16(12)15(11)13/h3,5,7-8,13H,4,6,9H2,1-2H3,(H,17,19)
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n/an/an/an/a 0.0500n/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Agonist activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


Eur J Med Chem 141: 552-566 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.025
BindingDB Entry DOI: 10.7270/Q2CC13BX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50426657
PNG
(CHEMBL2326199)
Show SMILES CCC(=O)NCCCc1cc(OC)ccc1OCc1cccc(OC)c1
Show InChI InChI=1S/C21H27NO4/c1-4-21(23)22-12-6-8-17-14-19(25-3)10-11-20(17)26-15-16-7-5-9-18(13-16)24-2/h5,7,9-11,13-14H,4,6,8,12,15H2,1-3H3,(H,22,23)
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n/an/an/an/a 0.0500n/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cells coexpressing Galpha protein 16z25 assessed as increase in calcium mobilization measured...


Bioorg Med Chem 21: 547-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.060
BindingDB Entry DOI: 10.7270/Q29W0GTX
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/an/an/a 0.0690n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human melatonin receptor-2 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
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/an/an/a 0.0794n/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Effect on pigment aggregation in Xenopus laevis melanophores


Bioorg Med Chem 15: 4543-51 (2007)


Article DOI: 10.1016/j.bmc.2007.04.013
BindingDB Entry DOI: 10.7270/Q29026K8
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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n/an/an/an/a 0.0900n/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


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))
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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n/an/an/an/a 0.0960n/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Intrinsic activity at human Melatonin receptor type 1B evaluated on [35S]-GTP-gammaS, binding in Chinese hamster ovarian (CHO) cells


J Med Chem 45: 2788-800 (2002)


Article DOI: 10.1021/jm0005252
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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n/an/an/an/a 0.0980n/an/an/an/a



IQM-CSIC

Curated by ChEMBL


Assay Description
Agonist activity at human melatonin receptor-1 transfected in CHO cell membranes after 1 hr by GTPgammaS binding assay


J Med Chem 58: 4998-5014 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00245
BindingDB Entry DOI: 10.7270/Q2JM2CDG
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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n/an/an/an/a 0.100n/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


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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n/an/an/an/a 0.100n/an/an/an/a



University of Lille 2

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 8339-48 (2008)


Article DOI: 10.1016/j.bmc.2008.08.052
BindingDB Entry DOI: 10.7270/Q24B314N
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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n/an/an/an/a 0.100n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Agonist activity at human human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay


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))
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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n/an/an/an/a 0.100n/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Agonist potency determined by [35S]-GTP gamma-S binding assay using CHO cell lines for Melatonin receptor type 1B


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))
BDBM50426656
PNG
(CHEMBL2326200)
Show SMILES CCC(=O)NCCCc1cc(OC)ccc1C#Cc1cccc(OC)c1
Show InChI InChI=1S/C22H25NO3/c1-4-22(24)23-14-6-8-19-16-21(26-3)13-12-18(19)11-10-17-7-5-9-20(15-17)25-2/h5,7,9,12-13,15-16H,4,6,8,14H2,1-3H3,(H,23,24)
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n/an/an/an/a 0.110n/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cells coexpressing Galpha protein 16z25 assessed as increase in calcium mobilization measured...


Bioorg Med Chem 21: 547-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.060
BindingDB Entry DOI: 10.7270/Q29W0GTX
More data for this
Ligand-Target Pair
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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n/an/an/an/a 0.170n/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Intrinsic activity at human Melatonin receptor type 1B evaluated on [35S]-GTP-gammaS, binding in Chinese hamster ovarian (CHO) cells


J Med Chem 45: 2788-800 (2002)


Article DOI: 10.1021/jm0005252
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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n/an/an/an/a 0.170n/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Intrinsic activity evaluated on [35S]-GTP -gamma-S binding in Chinese hamster ovarian (CHO) cells, stably expressing human Melatonin receptor type 1A


J Med Chem 45: 2788-800 (2002)


Article DOI: 10.1021/jm0005252
BindingDB Entry DOI: 10.7270/Q2Q52P0W
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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n/an/an/an/a 0.180n/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


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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n/an/an/an/a 0.180n/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


Eur J Med Chem 141: 552-566 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.025
BindingDB Entry DOI: 10.7270/Q2CC13BX
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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n/an/an/an/a 0.180n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


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))
BDBM50464412
PNG
(CHEMBL4278248)
Show SMILES COc1ccc2ccc3CCC(C)(CNC(C)=O)c3c2c1
Show InChI InChI=1S/C18H21NO2/c1-12(20)19-11-18(2)9-8-14-5-4-13-6-7-15(21-3)10-16(13)17(14)18/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)
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n/an/an/an/a 0.200n/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Agonist activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


Eur J Med Chem 141: 552-566 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.025
BindingDB Entry DOI: 10.7270/Q2CC13BX
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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n/an/an/an/a 0.200n/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


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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n/an/an/an/a 0.200n/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


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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n/an/an/an/a 0.200n/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


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))
BDBM50426653
PNG
(CHEMBL2326203)
Show SMILES CCC(=O)NCCCc1cc(OC)ccc1-c1cccc(OC)c1
Show InChI InChI=1S/C20H25NO3/c1-4-20(22)21-12-6-8-16-14-18(24-3)10-11-19(16)15-7-5-9-17(13-15)23-2/h5,7,9-11,13-14H,4,6,8,12H2,1-3H3,(H,21,22)
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n/an/an/an/a 0.200n/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cells coexpressing Galpha protein 16z25 assessed as increase in calcium mobilization measured...


Bioorg Med Chem 21: 547-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.060
BindingDB Entry DOI: 10.7270/Q29W0GTX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50464409
PNG
(CHEMBL4283539)
Show SMILES CNC(=O)NCC1CCc2ccc3ccc(OC)nc3c12
Show InChI InChI=1S/C16H19N3O2/c1-17-16(20)18-9-12-6-4-10-3-5-11-7-8-13(21-2)19-15(11)14(10)12/h3,5,7-8,12H,4,6,9H2,1-2H3,(H2,17,18,20)
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n/an/an/an/a 0.200n/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Agonist activity at human MT1 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


Eur J Med Chem 141: 552-566 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.025
BindingDB Entry DOI: 10.7270/Q2CC13BX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50464400
PNG
(CHEMBL4293386)
Show SMILES COc1ccc2ccc3CCC(CNC(C)=O)c3c2c1
Show InChI InChI=1S/C17H19NO2/c1-11(19)18-10-14-6-5-13-4-3-12-7-8-15(20-2)9-16(12)17(13)14/h3-4,7-9,14H,5-6,10H2,1-2H3,(H,18,19)
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n/an/an/an/a 0.200n/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


Eur J Med Chem 141: 552-566 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.025
BindingDB Entry DOI: 10.7270/Q2CC13BX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50464412
PNG
(CHEMBL4278248)
Show SMILES COc1ccc2ccc3CCC(C)(CNC(C)=O)c3c2c1
Show InChI InChI=1S/C18H21NO2/c1-12(20)19-11-18(2)9-8-14-5-4-13-6-7-15(21-3)10-16(13)17(14)18/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)
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n/an/an/an/a 0.200n/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


Eur J Med Chem 141: 552-566 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.025
BindingDB Entry DOI: 10.7270/Q2CC13BX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50426654
PNG
(CHEMBL2326202)
Show SMILES CCC(=O)NCCCc1cc(OC)ccc1Cc1cccc(OC)c1
Show InChI InChI=1S/C21H27NO3/c1-4-21(23)22-12-6-8-17-15-20(25-3)11-10-18(17)13-16-7-5-9-19(14-16)24-2/h5,7,9-11,14-15H,4,6,8,12-13H2,1-3H3,(H,22,23)
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n/an/an/an/a 0.240n/an/an/an/a



Hong Kong University of Science and Technology

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cells coexpressing Galpha protein 16z25 assessed as increase in calcium mobilization measured...


Bioorg Med Chem 21: 547-52 (2012)


Article DOI: 10.1016/j.bmc.2012.10.060
BindingDB Entry DOI: 10.7270/Q29W0GTX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50149182
PNG
(CHEMBL124577 | N-[3-(2-Methyl-benzooxazol-7-yl)-pr...)
Show SMILES CCC(=O)NCCCc1cccc2nc(C)oc12
Show InChI InChI=1S/C14H18N2O2/c1-3-13(17)15-9-5-7-11-6-4-8-12-14(11)18-10(2)16-12/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,17)
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n/an/an/an/a 0.260n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity for its ability to inhibit forskolin-stimulated cAMP accumulation against MT1 receptor


Bioorg Med Chem Lett 14: 3799-802 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.082
BindingDB Entry DOI: 10.7270/Q2S75FSR
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50464421
PNG
(CHEMBL4286896)
Show SMILES CCNC(=O)NCC1(C)CCc2ccc3ccc(OC)cc3c12
Show InChI InChI=1S/C19H24N2O2/c1-4-20-18(22)21-12-19(2)10-9-14-6-5-13-7-8-15(23-3)11-16(13)17(14)19/h5-8,11H,4,9-10,12H2,1-3H3,(H2,20,21,22)
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n/an/an/an/a 0.300n/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


Eur J Med Chem 141: 552-566 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.025
BindingDB Entry DOI: 10.7270/Q2CC13BX
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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n/an/an/an/a 0.390n/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Intrinsic activity at human Melatonin receptor type 1B evaluated on [35S]-GTP-gammaS, binding in Chinese hamster ovarian (CHO) cells


J Med Chem 45: 2788-800 (2002)


Article DOI: 10.1021/jm0005252
BindingDB Entry DOI: 10.7270/Q2Q52P0W
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50464407
PNG
(CHEMBL4292336)
Show SMILES COCC(=O)NCC1CCc2ccc3ccc(OC)cc3c12
Show InChI InChI=1S/C18H21NO3/c1-21-11-17(20)19-10-14-6-5-13-4-3-12-7-8-15(22-2)9-16(12)18(13)14/h3-4,7-9,14H,5-6,10-11H2,1-2H3,(H,19,20)
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n/an/an/an/a 0.400n/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


Eur J Med Chem 141: 552-566 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.025
BindingDB Entry DOI: 10.7270/Q2CC13BX
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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n/an/an/an/a 0.400n/an/an/an/a



Universities of Lille

Curated by ChEMBL


Assay Description
Intrinsic activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


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))
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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n/an/an/an/a 0.410n/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Intrinsic activity at human Melatonin receptor type 1B evaluated on [35S]-GTP-gammaS, binding in Chinese hamster ovarian (CHO) cells


J Med Chem 45: 2788-800 (2002)


Article DOI: 10.1021/jm0005252
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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n/an/an/an/a 0.420n/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay


Bioorg Med Chem Lett 21: 2316-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.02.097
BindingDB Entry DOI: 10.7270/Q27H1JWM
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/an/an/a 0.470n/an/an/an/a



Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL


Assay Description
Intrinsic activity at human Melatonin receptor type 1B evaluated on [35S]-GTP-gammaS, binding in Chinese hamster ovarian (CHO) cells


J Med Chem 45: 2788-800 (2002)


Article DOI: 10.1021/jm0005252
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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n/an/an/an/a 0.490n/an/an/an/a



University of Lille 2

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 8339-48 (2008)


Article DOI: 10.1016/j.bmc.2008.08.052
BindingDB Entry DOI: 10.7270/Q24B314N
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/an/an/a 0.490n/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Agonist potency determined by [35S]-GTP gamma-S binding assay using CHO cell lines for Melatonin receptor type 1B


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))
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/an/an/a 0.490n/an/an/an/a



University of Lille

Curated by ChEMBL


Assay Description
Agonist activity at human human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay


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))
BDBM50263551
PNG
(CHEMBL477835 | N-[2-(3-(3-Methylaminophenyl)-7-met...)
Show SMILES CNc1cccc(c1)-c1cc(CCNC(C)=O)c2cc(OC)ccc2c1
Show InChI InChI=1S/C22H24N2O2/c1-15(25)24-10-9-18-12-19(16-5-4-6-20(13-16)23-2)11-17-7-8-21(26-3)14-22(17)18/h4-8,11-14,23H,9-10H2,1-3H3,(H,24,25)
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n/an/an/an/a 0.5n/an/an/an/a



University of Lille 2

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 8339-48 (2008)


Article DOI: 10.1016/j.bmc.2008.08.052
BindingDB Entry DOI: 10.7270/Q24B314N
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50347588
PNG
(CHEMBL1802025)
Show SMILES CCc1nn2ccc3OCCc3c2c1CCNC(C)=O
Show InChI InChI=1S/C15H19N3O2/c1-3-13-11(4-7-16-10(2)19)15-12-6-9-20-14(12)5-8-18(15)17-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19)
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n/an/an/an/a 0.530n/an/an/an/a



Takeda Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP release after 30 mins by multilabel p...


J Med Chem 54: 4207-18 (2011)


Article DOI: 10.1021/jm200385u
BindingDB Entry DOI: 10.7270/Q2HT2PN3
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50464402
PNG
(CHEMBL4279639)
Show SMILES CNC(=O)NCC1CCc2ccc3ccc(OC)cc3c12
Show InChI InChI=1S/C17H20N2O2/c1-18-17(20)19-10-13-6-5-12-4-3-11-7-8-14(21-2)9-15(11)16(12)13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,18,19,20)
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n/an/an/an/a 0.600n/an/an/an/a



Univ. Lille

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cell membranes after 1 hr by [35S]GTPgammaS binding assay


Eur J Med Chem 141: 552-566 (2017)


Article DOI: 10.1016/j.ejmech.2017.10.025
BindingDB Entry DOI: 10.7270/Q2CC13BX
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263662
PNG
(CHEMBL476341 | N-[2-(3-(3-Hydroxymethylphenyl)-7-m...)
Show SMILES CCCC(=O)NCCc1cc(cc2ccc(OC)cc12)-c1cccc(CO)c1
Show InChI InChI=1S/C24H27NO3/c1-3-5-24(27)25-11-10-20-14-21(18-7-4-6-17(12-18)16-26)13-19-8-9-22(28-2)15-23(19)20/h4,6-9,12-15,26H,3,5,10-11,16H2,1-2H3,(H,25,27)
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n/an/an/an/a 0.600n/an/an/an/a



University of Lille 2

Curated by ChEMBL


Assay Description
Agonist activity at human MT2 receptor expressed in CHO cells by [35S]GTPgammaS binding assay


Bioorg Med Chem 16: 8339-48 (2008)


Article DOI: 10.1016/j.bmc.2008.08.052
BindingDB Entry DOI: 10.7270/Q24B314N
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50153420
PNG
(1N-[2-[2-(4-phenylbutyl)benzo[b]furan-4-yl]-(1R,2R...)
Show SMILES CC(=O)NC[C@@H]1CC1c1cccc2oc(CCCCc3ccccc3)cc12
Show InChI InChI=1S/C24H27NO2/c1-17(26)25-16-19-14-22(19)21-12-7-13-24-23(21)15-20(27-24)11-6-5-10-18-8-3-2-4-9-18/h2-4,7-9,12-13,15,19,22H,5-6,10-11,14,16H2,1H3,(H,25,26)/t19-,22?/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity towards human Melatonin receptor type 1A was determined by its ability to inhibit forskolin stimulated cAMP accumulation


Bioorg Med Chem Lett 14: 5157-60 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.055
BindingDB Entry DOI: 10.7270/Q2M044XG
More data for this
Ligand-Target Pair
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