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Compile Data Set for Download or QSAR

Found 360 hits with Last Name = 'sicsic' and Initial = 's'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor type 1C


(Gallus gallus)
BDBM50230657
PNG
(CHEMBL290493)
Show SMILES CCCC(=O)NCCc1cccc2ccc(OC)cc12
Show InChI InChI=1S/C17H21NO2/c1-3-5-17(19)18-11-10-14-7-4-6-13-8-9-15(20-2)12-16(13)14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,18,19)
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0.0295n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM29611
PNG
(2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo)
Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)
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0.0324n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470184
PNG
(CHEMBL304203)
Show SMILES COc1ccc2ccc(OC)c(CCNC(=O)C3CC3)c2c1
Show InChI InChI=1S/C18H21NO3/c1-21-14-7-5-12-6-8-17(22-2)15(16(12)11-14)9-10-19-18(20)13-3-4-13/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,19,20)
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0.0500n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes


J Med Chem 38: 2050-60 (1995)


Article DOI: 10.1021/jm00012a004
BindingDB Entry DOI: 10.7270/Q2ZS307H
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50035202
PNG
(CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12
Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
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0.0700n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes


J Med Chem 38: 2050-60 (1995)


Article DOI: 10.1021/jm00012a004
BindingDB Entry DOI: 10.7270/Q2ZS307H
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50035202
PNG
(CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12
Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
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0.0724n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.0780n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4D receptor isoform expressed in COS-7 cells


J Med Chem 43: 3761-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CC0ZXH
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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0.100n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes


J Med Chem 38: 2050-60 (1995)


Article DOI: 10.1021/jm00012a004
BindingDB Entry DOI: 10.7270/Q2ZS307H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.100n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4E receptor isoform expressed in C6 glial cells incubated with 0.2 nM [3H]-GR-113,...


J Med Chem 43: 3761-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CC0ZXH
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470007
PNG
(CHEMBL322269)
Show SMILES COc1ccc2cccc(CCNC(=O)CBr)c2c1
Show InChI InChI=1S/C15H16BrNO2/c1-19-13-6-5-11-3-2-4-12(14(11)9-13)7-8-17-15(18)10-16/h2-6,9H,7-8,10H2,1H3,(H,17,18)
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0.120n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470000
PNG
(CHEMBL111599)
Show SMILES CCCC(=O)NCCc1c[nH]c2cc(F)c(OC)cc12
Show InChI InChI=1S/C15H19FN2O2/c1-3-4-15(19)17-6-5-10-9-18-13-8-12(16)14(20-2)7-11(10)13/h7-9,18H,3-6H2,1-2H3,(H,17,19)
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0.141n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.150n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470172
PNG
(CHEMBL294517)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccccc12
Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-11-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9H,3,10-11H2,1-2H3,(H,17,18)
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0.176n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Effect of compound on Melatonin receptor in chicken brain in the presence of MnCl2


J Med Chem 38: 2050-60 (1995)


Article DOI: 10.1021/jm00012a004
BindingDB Entry DOI: 10.7270/Q2ZS307H
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.176n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Effect of compound on Melatonin receptor in chicken brain in the presence of MnCl2


J Med Chem 38: 2050-60 (1995)


Article DOI: 10.1021/jm00012a004
BindingDB Entry DOI: 10.7270/Q2ZS307H
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50408556
PNG
(CHEMBL37771)
Show SMILES CCC(=O)NCCc1cccc2ccc(OC)cc12
Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-10-9-13-6-4-5-12-7-8-14(19-2)11-15(12)13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
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0.182n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
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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0.240n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.330n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4A receptor isoform expressed in COS-7 cells


J Med Chem 43: 3761-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CC0ZXH
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470180
PNG
(CHEMBL61626)
Show SMILES COc1ccc2ccc(OC)c(CCNC(=O)C(F)(F)F)c2c1
Show InChI InChI=1S/C16H16F3NO3/c1-22-11-5-3-10-4-6-14(23-2)12(13(10)9-11)7-8-20-15(21)16(17,18)19/h3-6,9H,7-8H2,1-2H3,(H,20,21)
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0.389n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470180
PNG
(CHEMBL61626)
Show SMILES COc1ccc2ccc(OC)c(CCNC(=O)C(F)(F)F)c2c1
Show InChI InChI=1S/C16H16F3NO3/c1-22-11-5-3-10-4-6-14(23-2)12(13(10)9-11)7-8-20-15(21)16(17,18)19/h3-6,9H,7-8H2,1-2H3,(H,20,21)
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0.400n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes


J Med Chem 38: 2050-60 (1995)


Article DOI: 10.1021/jm00012a004
BindingDB Entry DOI: 10.7270/Q2ZS307H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.410n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4C receptor isoform expressed in COS-7 cells


J Med Chem 43: 3761-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CC0ZXH
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Chick)
BDBM50072660
PNG
(CHEMBL111866 | N-(7-Methoxy-1,2,3,4-tetrahydro-nap...)
Show SMILES CCCC(=O)NCC1CCCc2ccc(OC)cc12
Show InChI InChI=1S/C16H23NO2/c1-3-5-16(18)17-11-13-7-4-6-12-8-9-14(19-2)10-15(12)13/h8-10,13H,3-7,11H2,1-2H3,(H,17,18)
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0.450n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.460n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes


J Med Chem 39: 3089-95 (1996)


Article DOI: 10.1021/jm960219h
BindingDB Entry DOI: 10.7270/Q2736TNJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Displacement of [3H]GR-113808 from human 5HT4e receptor expressed in C6 cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.5n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity to Rluc fused 5HT4 receptor expressed in CHO cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Chick)
BDBM50072651
PNG
(CHEMBL113859 | N-(7-Methoxy-1,2,3,4-tetrahydro-nap...)
Show SMILES CCC(=O)NCC1CCCc2ccc(OC)cc12
Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-10-12-6-4-5-11-7-8-13(18-2)9-14(11)12/h7-9,12H,3-6,10H2,1-2H3,(H,16,17)
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0.530n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Chick)
BDBM50072651
PNG
(CHEMBL113859 | N-(7-Methoxy-1,2,3,4-tetrahydro-nap...)
Show SMILES CCC(=O)NCC1CCCc2ccc(OC)cc12
Show InChI InChI=1S/C15H21NO2/c1-3-15(17)16-10-12-6-4-5-11-7-8-13(18-2)9-14(11)12/h7-9,12H,3-6,10H2,1-2H3,(H,16,17)
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0.530n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.530n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4B receptor isoform expressed in COS-7 cells


J Med Chem 43: 3761-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CC0ZXH
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.537n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470174
PNG
(CHEMBL62992)
Show SMILES COc1ccc2ccccc2c1CCNC(=O)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-21-13-7-6-10-4-2-3-5-11(10)12(13)8-9-19-14(20)15(16,17)18/h2-7H,8-9H2,1H3,(H,19,20)
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0.540n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes


J Med Chem 38: 2050-60 (1995)


Article DOI: 10.1021/jm00012a004
BindingDB Entry DOI: 10.7270/Q2ZS307H
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Chick)
BDBM50037220
PNG
(1-[2-(7-Methoxy-naphthalen-1-yl)-ethyl]-pyrrolidin...)
Show SMILES COc1ccc2cccc(CCN3CCCC3=O)c2c1
Show InChI InChI=1S/C17H19NO2/c1-20-15-8-7-13-4-2-5-14(16(13)12-15)9-11-18-10-3-6-17(18)19/h2,4-5,7-8,12H,3,6,9-11H2,1H3
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0.540n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50035179
PNG
(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
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0.540n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes


J Med Chem 38: 2050-60 (1995)


Article DOI: 10.1021/jm00012a004
BindingDB Entry DOI: 10.7270/Q2ZS307H
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470174
PNG
(CHEMBL62992)
Show SMILES COc1ccc2ccccc2c1CCNC(=O)C(F)(F)F
Show InChI InChI=1S/C15H14F3NO2/c1-21-13-7-6-10-4-2-3-5-11(10)12(13)8-9-19-14(20)15(16,17)18/h2-7H,8-9H2,1H3,(H,19,20)
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0.550n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.670n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes


J Med Chem 38: 2050-60 (1995)


Article DOI: 10.1021/jm00012a004
BindingDB Entry DOI: 10.7270/Q2ZS307H
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.676n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470172
PNG
(CHEMBL294517)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccccc12
Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-11-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9H,3,10-11H2,1-2H3,(H,17,18)
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0.676n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470172
PNG
(CHEMBL294517)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccccc12
Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-11-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9H,3,10-11H2,1-2H3,(H,17,18)
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0.680n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes


J Med Chem 38: 2050-60 (1995)


Article DOI: 10.1021/jm00012a004
BindingDB Entry DOI: 10.7270/Q2ZS307H
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29525
PNG
(3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...)
Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12
Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3
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0.700n/an/an/an/an/an/an/an/a



Universit£ Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity to YFP fused 5HT4 receptor expressed in CHO cells


J Med Chem 50: 4482-92 (2007)


Article DOI: 10.1021/jm070552t
BindingDB Entry DOI: 10.7270/Q2251K0C
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Chick)
BDBM9019
PNG
(CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...)
Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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0.700n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470867
PNG
(CHEMBL318179)
Show SMILES COc1ccc2ccc(OC)c3CC(Cc1c23)NC(C)=O
Show InChI InChI=1S/C17H19NO3/c1-10(19)18-12-8-13-15(20-2)6-4-11-5-7-16(21-3)14(9-12)17(11)13/h4-7,12H,8-9H2,1-3H3,(H,18,19)
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0.700n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes


J Med Chem 39: 3089-95 (1996)


Article DOI: 10.1021/jm960219h
BindingDB Entry DOI: 10.7270/Q2736TNJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056418
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-azepan-1...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCCC1
Show InChI InChI=1S/C16H23ClN2O3/c1-21-15-11-14(18)13(17)10-12(15)16(20)22-9-8-19-6-4-2-3-5-7-19/h10-11H,2-9,18H2,1H3
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0.920n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056406
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3-methy...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC(C)C1
Show InChI InChI=1S/C16H23ClN2O3/c1-11-4-3-5-19(10-11)6-7-22-16(20)12-8-13(17)14(18)9-15(12)21-2/h8-9,11H,3-7,10,18H2,1-2H3
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0.930n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
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1n/an/an/an/an/an/an/an/a



UMR C8076 (CNRS)

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human 5-hydroxytryptamine 4E receptor expressed in C6 glial cells using [3H]-GR-113,808 as radioligand


J Med Chem 46: 2606-20 (2003)


Article DOI: 10.1021/jm0307887
BindingDB Entry DOI: 10.7270/Q2H131DJ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056403
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(3-hydro...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCC(O)C1
Show InChI InChI=1S/C15H21ClN2O4/c1-21-14-8-13(17)12(16)7-11(14)15(20)22-6-5-18-4-2-3-10(19)9-18/h7-8,10,19H,2-6,9,17H2,1H3
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1n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
Melatonin receptor type 1B


(Chick)
BDBM50072656
PNG
(CHEMBL111879 | N-(3-Methoxy-6,7,8,9-tetrahydro-5H-...)
Show SMILES CCCC(=O)NCC1CCCCc2ccc(OC)cc12
Show InChI InChI=1S/C17H25NO2/c1-3-6-17(19)18-12-14-8-5-4-7-13-9-10-15(20-2)11-16(13)14/h9-11,14H,3-8,12H2,1-2H3,(H,18,19)
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1n/an/an/an/an/an/an/an/a



Université de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity measured against Chicken brain melatonin receptor by using 2-[125I]-iodomelatonin as radioligand


Bioorg Med Chem Lett 8: 3325-30 (1999)


BindingDB Entry DOI: 10.7270/Q2R78DD7
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(Homo sapiens (Human))
BDBM50092543
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-pyrim...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)c1ncccn1
Show InChI InChI=1S/C18H22ClN5O3/c1-26-16-12-15(20)14(19)11-13(16)17(25)27-10-9-23-5-7-24(8-6-23)18-21-3-2-4-22-18/h2-4,11-12H,5-10,20H2,1H3
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1n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Binding affinity was determined against cloned 5-hydroxytryptamine 4E receptor isoform expressed in C6 glial cells incubated with 0.2 nM [3H]-GR-113,...


J Med Chem 43: 3761-9 (2000)


BindingDB Entry DOI: 10.7270/Q2CC0ZXH
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM50056416
PNG
(4-Amino-5-chloro-2-methoxy-benzoic acid 2-(4-acety...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(C)=O
Show InChI InChI=1S/C17H24ClN3O4/c1-11(22)20-12-3-5-21(6-4-12)7-8-25-17(23)13-9-14(18)15(19)10-16(13)24-2/h9-10,12H,3-8,19H2,1-2H3,(H,20,22)
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1.10n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 4


(RAT)
BDBM29526
PNG
(2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...)
Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1
Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3
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1.10n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand


J Med Chem 40: 608-21 (1997)


Article DOI: 10.1021/jm960320m
BindingDB Entry DOI: 10.7270/Q2T72J36
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470172
PNG
(CHEMBL294517)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccccc12
Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-11-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9H,3,10-11H2,1-2H3,(H,17,18)
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1.10n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Effect of compound on Melatonin receptor in chicken brain in the presence of GTP-gamma-S


J Med Chem 38: 2050-60 (1995)


Article DOI: 10.1021/jm00012a004
BindingDB Entry DOI: 10.7270/Q2ZS307H
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
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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1.10n/an/an/an/an/an/an/an/a



CNRS-BIOCIS

Curated by ChEMBL


Assay Description
Effect of compound on Melatonin receptor in chicken brain in the presence of GTP-gamma-S


J Med Chem 38: 2050-60 (1995)


Article DOI: 10.1021/jm00012a004
BindingDB Entry DOI: 10.7270/Q2ZS307H
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50470183
PNG
(CHEMBL305383)
Show SMILES CCC(=O)NCCc1cc(Br)ccc1OC
Show InChI InChI=1S/C12H16BrNO2/c1-3-12(15)14-7-6-9-8-10(13)4-5-11(9)16-2/h4-5,8H,3,6-7H2,1-2H3,(H,14,15)
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1.10n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
Melatonin receptor type 1C


(Gallus gallus)
BDBM50471087
PNG
(CHEMBL124462)
Show SMILES CCOc1ccc2ccccc2c1CCNC(=O)CC
Show InChI InChI=1S/C17H21NO2/c1-3-17(19)18-12-11-15-14-8-6-5-7-13(14)9-10-16(15)20-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,18,19)
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1.10n/an/an/an/an/an/an/an/a



Universit£ de Paris-Sud

Curated by ChEMBL


Assay Description
Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand


J Med Chem 40: 739-48 (1997)


Article DOI: 10.1021/jm960680+
BindingDB Entry DOI: 10.7270/Q2WQ06H4
More data for this
Ligand-Target Pair
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