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PubMed code 1315395

Compile data set for download or QSAR
Found 18 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50230659
PNG
(CHEMBL37549)
Show SMILES COc1ccc2[nH]cc(CCNC(=O)C3CC3)c2c1
Show InChI InChI=1S/C15H18N2O2/c1-19-12-4-5-14-13(8-12)11(9-17-14)6-7-16-15(18)10-2-3-10/h4-5,8-10,17H,2-3,6-7H2,1H3,(H,16,18)
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PubMed
n/an/an/a 5n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230664
PNG
(CHEMBL290568)
Show SMILES COc1ccc2cccc(CCNC(=O)c3cc(Cl)cc(Cl)c3)c2c1
Show InChI InChI=1S/C20H17Cl2NO2/c1-25-18-6-5-13-3-2-4-14(19(13)12-18)7-8-23-20(24)15-9-16(21)11-17(22)10-15/h2-6,9-12H,7-8H2,1H3,(H,23,24)
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n/an/an/a 1.10n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50037245
PNG
(CHEMBL288300 | Heptanoic acid [2-(7-methoxy-naphth...)
Show SMILES CCCCCCC(=O)NCCc1cccc2ccc(OC)cc12
Show InChI InChI=1S/C20H27NO2/c1-3-4-5-6-10-20(22)21-14-13-17-9-7-8-16-11-12-18(23-2)15-19(16)17/h7-9,11-12,15H,3-6,10,13-14H2,1-2H3,(H,21,22)
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n/an/an/a 2.30n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
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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PubMed
n/an/an/a 1n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408578
PNG
(CHEMBL417151)
Show SMILES COc1ccc2cccc(CCNC(=O)C3CC3)c2c1
Show InChI InChI=1S/C17H19NO2/c1-20-15-8-7-12-3-2-4-13(16(12)11-15)9-10-18-17(19)14-5-6-14/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,18,19)
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PubMed
n/an/an/a 4.20n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
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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Article
PubMed
n/an/an/a 9.20n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408649
PNG
(CHEMBL37703)
Show SMILES COc1ccc2cccc(CCNC(=O)C(C)C)c2c1
Show InChI InChI=1S/C17H21NO2/c1-12(2)17(19)18-10-9-14-6-4-5-13-7-8-15(20-3)11-16(13)14/h4-8,11-12H,9-10H2,1-3H3,(H,18,19)
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PubMed
n/an/an/a 2.30n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230658
PNG
(CHEMBL37721)
Show SMILES COc1ccc2cccc(CCNC(=O)Cc3ccccc3)c2c1
Show InChI InChI=1S/C21H21NO2/c1-24-19-11-10-17-8-5-9-18(20(17)15-19)12-13-22-21(23)14-16-6-3-2-4-7-16/h2-11,15H,12-14H2,1H3,(H,22,23)
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n/an/an/a 2n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408572
PNG
(CHEMBL35017)
Show SMILES CCCCCC(=O)NCCc1cccc2ccc(OC)cc12
Show InChI InChI=1S/C19H25NO2/c1-3-4-5-9-19(21)20-13-12-16-8-6-7-15-10-11-17(22-2)14-18(15)16/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,20,21)
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PubMed
n/an/an/a 2.80n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
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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PubMed
n/an/an/a 3.30n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230661
PNG
(CHEMBL288301)
Show SMILES COc1ccc2cccc(CCNC(=O)C3CCC3)c2c1
Show InChI InChI=1S/C18H21NO2/c1-21-16-9-8-13-4-2-5-14(17(13)12-16)10-11-19-18(20)15-6-3-7-15/h2,4-5,8-9,12,15H,3,6-7,10-11H2,1H3,(H,19,20)
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PubMed
n/an/an/a 2.40n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230662
PNG
(CHEMBL285005)
Show SMILES COc1ccc2cccc(CCNC(=O)\C=C\C)c2c1
Show InChI InChI=1S/C17H19NO2/c1-3-5-17(19)18-11-10-14-7-4-6-13-8-9-15(20-2)12-16(13)14/h3-9,12H,10-11H2,1-2H3,(H,18,19)/b5-3+
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PubMed
n/an/an/a 8.5n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230663
PNG
(CHEMBL34349)
Show SMILES CCCCC(=O)NCCc1cccc2ccc(OC)cc12
Show InChI InChI=1S/C18H23NO2/c1-3-4-8-18(20)19-12-11-15-7-5-6-14-9-10-16(21-2)13-17(14)15/h5-7,9-10,13H,3-4,8,11-12H2,1-2H3,(H,19,20)
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PubMed
n/an/an/a 3.40n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50037241
PNG
(CHEMBL34348 | N-(2-(7-methoxynaphthalen-1-yl)ethyl...)
Show SMILES COc1ccc2cccc(CCNC(=O)c3ccccc3)c2c1
Show InChI InChI=1S/C20H19NO2/c1-23-18-11-10-15-8-5-9-16(19(15)14-18)12-13-21-20(22)17-6-3-2-4-7-17/h2-11,14H,12-13H2,1H3,(H,21,22)
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n/an/an/a 5n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
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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PubMed
n/an/an/a 2.20n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
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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n/an/an/a 6.20n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50037234
PNG
(1H-Indole-2-carboxylic acid [2-(7-methoxy-naphthal...)
Show SMILES COc1ccc2cccc(CCNC(=O)c3cc4ccccc4[nH]3)c2c1
Show InChI InChI=1S/C22H20N2O2/c1-26-18-10-9-15-6-4-7-16(19(15)14-18)11-12-23-22(25)21-13-17-5-2-3-8-20(17)24-21/h2-10,13-14,24H,11-12H2,1H3,(H,23,25)
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n/an/an/a 1.20n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50230660
PNG
(CHEMBL290646)
Show SMILES COc1ccc2cccc(CCNC(=O)C3CCCCC3)c2c1
Show InChI InChI=1S/C20H25NO2/c1-23-18-11-10-15-8-5-9-16(19(15)14-18)12-13-21-20(22)17-6-3-2-4-7-17/h5,8-11,14,17H,2-4,6-7,12-13H2,1H3,(H,21,22)
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PubMed
n/an/an/a 1.60n/an/an/an/an/a



Universite de Lille

Curated by ChEMBL


Assay Description
Binding affinity against Melatonin receptor using ovine pars tuberalis membranes of the pituitary.


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%