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Compile Data Set for Download or QSAR

Found 207 hits of ec50 data for polymerid = 49000723,49000726,5661,5662   
Target
(Institution)
LigandTarget
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))
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 Company Limited

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)

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)

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 Company Limited

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)

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)

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



?Instituto de Química Médica, Consejo Superior de Investigaciones Científicas (IQM-CSIC), C/Juan de la Cierva 3, 28006 Madrid, Spain.

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)

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)

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



?Instituto de Química Médica, Consejo Superior de Investigaciones Científicas (IQM-CSIC), C/Juan de la Cierva 3, 28006 Madrid, Spain.

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)

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)

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)

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



Univ Lille Nord de France

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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)

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



Univ Lille Nord de France

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)

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)

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)

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)

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 Company Limited

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)

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)

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)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50343992
PNG
(CHEMBL1779804 | N-(2-(5-fluoro-2-(4-fluorophenylth...)
Show SMILES CC(=O)NCCc1c(Sc2ccc(F)cc2)sc2ccc(F)cc12
Show InChI InChI=1S/C18H15F2NOS2/c1-11(22)21-9-8-15-16-10-13(20)4-7-17(16)24-18(15)23-14-5-2-12(19)3-6-14/h2-7,10H,8-9H2,1H3,(H,21,22)
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n/an/an/an/a 0.640n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


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


Eur J Med Chem 46: 1835-40 (2011)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50343990
PNG
(CHEMBL1779803 | N-(2-(5-fluorobenzo[b]thiophen-3-y...)
Show SMILES CC(=O)NCCc1csc2ccc(F)cc12
Show InChI InChI=1S/C12H12FNOS/c1-8(15)14-5-4-9-7-16-12-3-2-10(13)6-11(9)12/h2-3,6-7H,4-5H2,1H3,(H,14,15)
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n/an/an/an/a 0.680n/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


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


Eur J Med Chem 46: 1835-40 (2011)

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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n/an/an/an/a 0.700n/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)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340338
PNG
(CHEMBL1760947 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)
Show SMILES CCCC(=O)NCCn1ccc2ccc(OC)nc12
Show InChI InChI=1S/C14H19N3O2/c1-3-4-12(18)15-8-10-17-9-7-11-5-6-13(19-2)16-14(11)17/h5-7,9H,3-4,8,10H2,1-2H3,(H,15,18)
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n/an/an/an/a 0.700n/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)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263661
PNG
(CHEMBL518113 | N-[2-(3-(3-Hydroxymethylphenyl)-7-m...)
Show SMILES CCC(=O)NCCc1cc(cc2ccc(OC)cc12)-c1cccc(CO)c1
Show InChI InChI=1S/C23H25NO3/c1-3-23(26)24-10-9-19-13-20(17-6-4-5-16(11-17)15-25)12-18-7-8-21(27-2)14-22(18)19/h4-8,11-14,25H,3,9-10,15H2,1-2H3,(H,24,26)
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n/an/an/an/a 0.700n/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)

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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n/an/an/an/a 0.720n/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)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263659
PNG
(CHEMBL476131 | N-[2-(3-(3-hydroxymethylphenyl)-7-m...)
Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(CO)c1
Show InChI InChI=1S/C22H23NO3/c1-15(25)23-9-8-19-12-20(17-5-3-4-16(10-17)14-24)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13,24H,8-9,14H2,1-2H3,(H,23,25)
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n/an/an/an/a 0.760n/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)

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 0.820n/an/an/an/a



Takeda Pharmaceutical Company Limited

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)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50117899
PNG
(CHEMBL3612604)
Show SMILES CCC(=O)NCC1CCc2ccccc2N1C
Show InChI InChI=1/C14H20N2O/c1-3-14(17)15-10-12-9-8-11-6-4-5-7-13(11)16(12)2/h4-7,12H,3,8-10H2,1-2H3,(H,15,17)
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n/an/an/an/a 0.900n/an/an/an/a



Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL


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


J Med Chem 58: 7512-25 (2015)

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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n/an/an/an/a 0.980n/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)

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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n/an/an/an/a 0.980n/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)

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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n/an/an/an/a>1n/an/an/an/a



Univ Lille Nord de France

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)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144224
PNG
(CHEMBL3759816)
Show SMILES COc1ccc2ccc3occ(CNC(=O)C4CC4)c3c2c1
Show InChI InChI=1S/C18H17NO3/c1-21-14-6-4-11-5-7-16-17(15(11)8-14)13(10-22-16)9-19-18(20)12-2-3-12/h4-8,10,12H,2-3,9H2,1H3,(H,19,20)
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n/an/an/an/a 1n/an/an/an/a



Universit£ de Lille

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316700
PNG
(CHEMBL1095832 | N-[2-(7-{4-[8-(2-Cyclopropanecarbo...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12
Show InChI InChI=1S/C34H38N2O4/c1-24(37)35-18-16-27-8-4-6-25-12-14-30(22-32(25)27)39-20-2-3-21-40-31-15-13-26-7-5-9-28(33(26)23-31)17-19-36-34(38)29-10-11-29/h4-9,12-15,22-23,29H,2-3,10-11,16-21H2,1H3,(H,35,37)(H,36,38)
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n/an/an/an/a>1n/an/an/an/a



Univ Lille Nord de France

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)

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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n/an/an/an/a>1n/an/an/an/a



Univ Lille Nord de France

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)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316703
PNG
(CHEMBL1094545 | N-[2-(7-{4-[4'-Methoxycarbonylbiph...)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(OCCCCOc2ccc3cccc(CCNC(C)=O)c3c2)cc1
Show InChI InChI=1S/C32H33NO5/c1-23(34)33-19-18-27-7-5-6-26-14-17-30(22-31(26)27)38-21-4-3-20-37-29-15-12-25(13-16-29)24-8-10-28(11-9-24)32(35)36-2/h5-17,22H,3-4,18-21H2,1-2H3,(H,33,34)
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Univ Lille Nord de France

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)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316705
PNG
(CHEMBL1095504 | N-[2-{7-(4-[8-(carboxymethyl)napht...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CC(O)=O)c4c3)cc12
Show InChI InChI=1S/C30H31NO5/c1-21(32)31-15-14-24-8-4-6-22-10-12-26(19-28(22)24)35-16-2-3-17-36-27-13-11-23-7-5-9-25(18-30(33)34)29(23)20-27/h4-13,19-20H,2-3,14-18H2,1H3,(H,31,32)(H,33,34)
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Univ Lille Nord de France

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)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263716
PNG
(CHEMBL490595 | N-[2-(3-(3-Bromomethylphenyl)-7-met...)
Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(CBr)c1
Show InChI InChI=1S/C22H22BrNO2/c1-15(25)24-9-8-19-12-20(17-5-3-4-16(10-17)14-23)11-18-6-7-21(26-2)13-22(18)19/h3-7,10-13H,8-9,14H2,1-2H3,(H,24,25)
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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)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316702
PNG
(CHEMBL1097496 | N-[2-(7-{4-[3-(2-acetylaminoethyl)...)
Show SMILES CC(=O)NCCc1coc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C30H34N2O5/c1-21(33)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)35-16-3-4-17-36-27-10-11-30-29(19-27)25(20-37-30)13-15-32-22(2)34/h5-11,18-20H,3-4,12-17H2,1-2H3,(H,31,33)(H,32,34)
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Univ Lille Nord de France

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)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316704
PNG
(CHEMBL1095522 | N-[2-(7-{4-[3-(2-Acetylaminoethyl)...)
Show SMILES CC(=O)NCCc1c[nH]c2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C30H35N3O4/c1-21(34)31-14-12-24-7-5-6-23-8-9-26(18-28(23)24)36-16-3-4-17-37-27-10-11-30-29(19-27)25(20-33-30)13-15-32-22(2)35/h5-11,18-20,33H,3-4,12-17H2,1-2H3,(H,31,34)(H,32,35)
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Univ Lille Nord de France

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)

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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Universit£ de Lille

Curated by ChEMBL


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


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

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316697
PNG
(CHEMBL1095195 | N-[2-(7-{4-[8-(2-vinylacetylaminoe...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)CC=C)c4c3)cc12
Show InChI InChI=1S/C34H38N2O4/c1-3-8-34(38)36-20-18-29-12-7-10-27-14-16-31(24-33(27)29)40-22-5-4-21-39-30-15-13-26-9-6-11-28(32(26)23-30)17-19-35-25(2)37/h3,6-7,9-16,23-24H,1,4-5,8,17-22H2,2H3,(H,35,37)(H,36,38)
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Univ Lille Nord de France

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)

More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50316698
PNG
(CHEMBL1097314 | N-[2-(7-{4-[8-(2-Cyclopropylcarbon...)
Show SMILES O=C(NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(=O)C5CC5)c4c3)cc12)C1CC1
Show InChI InChI=1S/C36H40N2O4/c39-35(29-9-10-29)37-19-17-27-7-3-5-25-13-15-31(23-33(25)27)41-21-1-2-22-42-32-16-14-26-6-4-8-28(34(26)24-32)18-20-38-36(40)30-11-12-30/h3-8,13-16,23-24,29-30H,1-2,9-12,17-22H2,(H,37,39)(H,38,40)
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Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay


Bioorg Med Chem 18: 3426-36 (2010)

More data for this
Ligand-Target Pair
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