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Compile Data Set for Download or QSAR

Found 108 hits of ec50 data for polymerid = 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))
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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))
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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...


Citation and Details
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...


Citation and Details
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


Citation and Details
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



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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144221
PNG
(CHEMBL3759802)
Show SMILES COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
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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


Citation and Details
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


Citation and Details
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...


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144226
PNG
(CHEMBL3758679)
Show SMILES COc1ccc2ccc3oc(CNC(=O)C4CC4)cc3c2c1
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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


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144222
PNG
(CHEMBL3758717)
Show SMILES COc1ccc2ccc3oc(CNC(C)=O)cc3c2c1
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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


Citation and Details
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


Citation and Details
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


Citation and Details
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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n/an/an/an/a 1n/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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340329
PNG
(4-azamelatonin | CHEMBL1760944)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H15N3O2/c1-8(16)13-6-5-9-7-14-10-3-4-11(17-2)15-12(9)10/h3-4,7,14H,5-6H2,1-2H3,(H,13,16)
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n/an/an/an/a 1.10n/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


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144310
PNG
(CHEMBL3759084)
Show SMILES COc1ccc2ccc3oc(CNC(=O)CF)cc3c2c1
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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


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50114700
PNG
(CHEMBL314947 | N-{2-[5-Methoxy-2-(3-trifluoromethy...)
Show SMILES COc1ccc2oc(Cc3cccc(c3)C(F)(F)F)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C21H20F3NO3/c1-13(26)25-9-8-17-18-12-16(27-2)6-7-19(18)28-20(17)11-14-4-3-5-15(10-14)21(22,23)24/h3-7,10,12H,8-9,11H2,1-2H3,(H,25,26)
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n/an/an/an/a 1.26n/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))
BDBM50263713
PNG
(CHEMBL491604 | N-[2-(3-(3-Formylphenyl)-7-methoxyn...)
Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(C=O)c1
Show InChI InChI=1S/C22H21NO3/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/h3-7,10-14H,8-9H2,1-2H3,(H,23,25)
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n/an/an/an/a 1.30n/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


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50263758
PNG
(CHEMBL490188 | N-[2-(3-(3-Aminophenyl)-7-methoxyna...)
Show SMILES COc1ccc2cc(cc(CCNC(C)=O)c2c1)-c1cccc(N)c1
Show InChI InChI=1S/C21H22N2O2/c1-14(24)23-9-8-17-11-18(15-4-3-5-19(22)12-15)10-16-6-7-20(25-2)13-21(16)17/h3-7,10-13H,8-9,22H2,1-2H3,(H,23,24)
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n/an/an/an/a 1.30n/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


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340327
PNG
(CHEMBL1760957 | N-(2-(5,6,7,8-Tetrahydro-2-methoxy...)
Show SMILES COc1ccc2c3CCCCc3n(CCNC(C)=O)c2n1
Show InChI InChI=1S/C16H21N3O2/c1-11(20)17-9-10-19-14-6-4-3-5-12(14)13-7-8-15(21-2)18-16(13)19/h7-8H,3-6,9-10H2,1-2H3,(H,17,20)
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n/an/an/an/a 1.30n/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


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50340324
PNG
(CHEMBL1760946 | N-(2-(6-Methoxy-1H-pyrrolo[2,3-b]p...)
Show SMILES CCC(=O)NCCn1ccc2ccc(OC)nc12
Show InChI InChI=1S/C13H17N3O2/c1-3-11(17)14-7-9-16-8-6-10-4-5-12(18-2)15-13(10)16/h4-6,8H,3,7,9H2,1-2H3,(H,14,17)
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n/an/an/an/a 1.40n/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


Citation and Details
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50144219
PNG
(CHEMBL3758225)
Show SMILES COc1ccc2ccc3occ(CNC(C)=O)c3c2c1
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n/an/an/an/a 1.40n/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


Citation and Details
More data for this
Ligand-Target Pair
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