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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50003455   
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 1A/1B


(Homo sapiens (Human))
BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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0.0170n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50043287
PNG
(CHEMBL33415 | Melatonin,2-Bromo | N-[2-(2-Bromo-5-...)
Show SMILES COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15BrN2O2/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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0.0360n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471112
PNG
(CHEMBL61991)
Show SMILES COc1ccc2[nH]c(c(\C=C\NC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H18N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22)/b11-10+
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0.390n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471119
PNG
(CHEMBL61380)
Show SMILES CCOC(=O)c1[nH]c2ccc(OC)c3CCC(CNC(C)=O)c1c23
Show InChI InChI=1S/C18H22N2O4/c1-4-24-18(22)17-15-11(9-19-10(2)21)5-6-12-14(23-3)8-7-13(20-17)16(12)15/h7-8,11,20H,4-6,9H2,1-3H3,(H,19,21)
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0.480n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(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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0.610n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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0.990n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471122
PNG
(CHEMBL60832)
Show SMILES COc1ccc2[nH]cc3C(CNC(C)=O)CCc1c23
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-7-10-3-4-11-14(19-2)6-5-13-15(11)12(10)8-17-13/h5-6,8,10,17H,3-4,7H2,1-2H3,(H,16,18)
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2.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471111
PNG
(CHEMBL60719)
Show SMILES COc1ccc2[nH]cc(\C=C\NC(C)=O)c2c1
Show InChI InChI=1S/C13H14N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-8,15H,1-2H3,(H,14,16)/b6-5+
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8n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471115
PNG
(CHEMBL292108)
Show SMILES COc1ccc2[nH]c(Br)c3CC(Cc1c23)NC(C)=O
Show InChI InChI=1S/C14H15BrN2O2/c1-7(18)16-8-5-9-12(19-2)4-3-11-13(9)10(6-8)14(15)17-11/h3-4,8,17H,5-6H2,1-2H3,(H,16,18)
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471118
PNG
(CHEMBL60033)
Show SMILES COc1ccc2[nH]c3ccc(NC(C)=O)cc3c2c1
Show InChI InChI=1S/C15H14N2O2/c1-9(18)16-10-3-5-14-12(7-10)13-8-11(19-2)4-6-15(13)17-14/h3-8,17H,1-2H3,(H,16,18)
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63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471114
PNG
(CHEMBL61418)
Show SMILES COc1ccc2[nH]cc3CC(Cc1c23)NC(C)=O
Show InChI InChI=1S/C14H16N2O2/c1-8(17)16-10-5-9-7-15-12-3-4-13(18-2)11(6-10)14(9)12/h3-4,7,10,15H,5-6H2,1-2H3,(H,16,17)
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330n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471116
PNG
(CHEMBL64517)
Show SMILES COc1ccc2[nH]ccc2c1CCNC(C)=O
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-7-6-11-10-5-8-15-12(10)3-4-13(11)17-2/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)
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360n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471124
PNG
(CHEMBL60001)
Show SMILES CC(=O)Nc1ccc2[nH]c3ccccc3c2c1
Show InChI InChI=1S/C14H12N2O/c1-9(17)15-10-6-7-14-12(8-10)11-4-2-3-5-13(11)16-14/h2-8,16H,1H3,(H,15,17)
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820n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471117
PNG
(CHEMBL58015)
Show SMILES COc1ccc2[nH]cc3CCNC(=O)Cc1c23
Show InChI InChI=1S/C13H14N2O2/c1-17-11-3-2-10-13-8(7-15-10)4-5-14-12(16)6-9(11)13/h2-3,7,15H,4-6H2,1H3,(H,14,16)
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50034101
PNG
(CHEMBL14701 | Compound 6 | Cyclobutanecarboxylic a...)
Show SMILES O=C(NCCc1c([nH]c2ccccc12)-c1ccccc1)C1CCC1
Show InChI InChI=1S/C21H22N2O/c24-21(16-9-6-10-16)22-14-13-18-17-11-4-5-12-19(17)23-20(18)15-7-2-1-3-8-15/h1-5,7-8,11-12,16,23H,6,9-10,13-14H2,(H,22,24)
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50058672
PNG
(6-Methoxy-2,3,4,9-tetrahydro-beta-carbolin-1-one |...)
Show SMILES COc1ccc2[nH]c3c(CCNC3=O)c2c1
Show InChI InChI=1S/C12H12N2O2/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-3,6,14H,4-5H2,1H3,(H,13,15)
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9.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Binding affinity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as labelled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50034110
PNG
(CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)
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n/an/a 0.0620n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50043287
PNG
(CHEMBL33415 | Melatonin,2-Bromo | N-[2-(2-Bromo-5-...)
Show SMILES COc1ccc2[nH]c(Br)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15BrN2O2/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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n/an/a 0.130n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471112
PNG
(CHEMBL61991)
Show SMILES COc1ccc2[nH]c(c(\C=C\NC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H18N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22)/b11-10+
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n/an/a 1.10n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor of quail optica tecta with 200 pM 2-[125] iodomelatonin


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471112
PNG
(CHEMBL61991)
Show SMILES COc1ccc2[nH]c(c(\C=C\NC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H18N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22)/b11-10+
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n/an/a 1.40n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471119
PNG
(CHEMBL61380)
Show SMILES CCOC(=O)c1[nH]c2ccc(OC)c3CCC(CNC(C)=O)c1c23
Show InChI InChI=1S/C18H22N2O4/c1-4-24-18(22)17-15-11(9-19-10(2)21)5-6-12-14(23-3)8-7-13(20-17)16(12)15/h7-8,11,20H,4-6,9H2,1-3H3,(H,19,21)
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n/an/a 1.70n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(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/a 2.20n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471112
PNG
(CHEMBL61991)
Show SMILES COc1ccc2[nH]c(c(\C=C\NC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H18N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-12,21H,1-2H3,(H,20,22)/b11-10+
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n/an/a 3n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor of quail optica tecta with 200 pM 2-[125] iodomelatonin as gamma-S (10e-4 M)


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(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/a 3.10n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor of quail optica tecta with 200 pM 2-[125] iodomelatonin


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50043289
PNG
(CHEMBL34730 | N-[2-(6-Chloro-5-methoxy-1H-indol-3-...)
Show SMILES COc1cc2c(CCNC(C)=O)c[nH]c2cc1Cl
Show InChI InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
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n/an/a 3.60n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471122
PNG
(CHEMBL60832)
Show SMILES COc1ccc2[nH]cc3C(CNC(C)=O)CCc1c23
Show InChI InChI=1S/C15H18N2O2/c1-9(18)16-7-10-3-4-11-14(19-2)6-5-13-15(11)12(10)8-17-13/h5-6,8,10,17H,3-4,7H2,1-2H3,(H,16,18)
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n/an/a 9.90n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(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/a 15n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor of quail optica tecta with 200 pM 2-[125] iodomelatonin as gamma-S (10e-4 M)


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471111
PNG
(CHEMBL60719)
Show SMILES COc1ccc2[nH]cc(\C=C\NC(C)=O)c2c1
Show InChI InChI=1S/C13H14N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-8,15H,1-2H3,(H,14,16)/b6-5+
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n/an/a 29n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471115
PNG
(CHEMBL292108)
Show SMILES COc1ccc2[nH]c(Br)c3CC(Cc1c23)NC(C)=O
Show InChI InChI=1S/C14H15BrN2O2/c1-7(18)16-8-5-9-12(19-2)4-3-11-13(9)10(6-8)14(15)17-11/h3-4,8,17H,5-6H2,1-2H3,(H,16,18)
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n/an/a 73n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471115
PNG
(CHEMBL292108)
Show SMILES COc1ccc2[nH]c(Br)c3CC(Cc1c23)NC(C)=O
Show InChI InChI=1S/C14H15BrN2O2/c1-7(18)16-8-5-9-12(19-2)4-3-11-13(9)10(6-8)14(15)17-11/h3-4,8,17H,5-6H2,1-2H3,(H,16,18)
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n/an/a 90n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor of quail optica tecta with 200 pM 2-[125] iodomelatonin


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471118
PNG
(CHEMBL60033)
Show SMILES COc1ccc2[nH]c3ccc(NC(C)=O)cc3c2c1
Show InChI InChI=1S/C15H14N2O2/c1-9(18)16-10-3-5-14-12(7-10)13-8-11(19-2)4-6-15(13)17-14/h3-8,17H,1-2H3,(H,16,18)
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n/an/a 230n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471115
PNG
(CHEMBL292108)
Show SMILES COc1ccc2[nH]c(Br)c3CC(Cc1c23)NC(C)=O
Show InChI InChI=1S/C14H15BrN2O2/c1-7(18)16-8-5-9-12(19-2)4-3-11-13(9)10(6-8)14(15)17-11/h3-4,8,17H,5-6H2,1-2H3,(H,16,18)
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n/an/a 396n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor of quail optica tecta with 200 pM 2-[125] iodomelatonin as gamma-S (10e-4 M)


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471114
PNG
(CHEMBL61418)
Show SMILES COc1ccc2[nH]cc3CC(Cc1c23)NC(C)=O
Show InChI InChI=1S/C14H16N2O2/c1-8(17)16-10-5-9-7-15-12-3-4-13(18-2)11(6-10)14(9)12/h3-4,7,10,15H,5-6H2,1-2H3,(H,16,17)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471116
PNG
(CHEMBL64517)
Show SMILES COc1ccc2[nH]ccc2c1CCNC(C)=O
Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-7-6-11-10-5-8-15-12(10)3-4-13(11)17-2/h3-5,8,15H,6-7H2,1-2H3,(H,14,16)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471124
PNG
(CHEMBL60001)
Show SMILES CC(=O)Nc1ccc2[nH]c3ccccc3c2c1
Show InChI InChI=1S/C14H12N2O/c1-9(17)15-10-6-7-14-12(8-10)11-4-2-3-5-13(11)16-14/h2-8,16H,1H3,(H,15,17)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471114
PNG
(CHEMBL61418)
Show SMILES COc1ccc2[nH]cc3CC(Cc1c23)NC(C)=O
Show InChI InChI=1S/C14H16N2O2/c1-8(17)16-10-5-9-7-15-12-3-4-13(18-2)11(6-10)14(9)12/h3-4,7,10,15H,5-6H2,1-2H3,(H,16,17)
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n/an/a 3.11E+3n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor of quail optica tecta with 200 pM 2-[125] iodomelatonin


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471117
PNG
(CHEMBL58015)
Show SMILES COc1ccc2[nH]cc3CCNC(=O)Cc1c23
Show InChI InChI=1S/C13H14N2O2/c1-17-11-3-2-10-13-8(7-15-10)4-5-14-12(16)6-9(11)13/h2-3,7,15H,4-6H2,1H3,(H,14,16)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50034101
PNG
(CHEMBL14701 | Compound 6 | Cyclobutanecarboxylic a...)
Show SMILES O=C(NCCc1c([nH]c2ccccc12)-c1ccccc1)C1CCC1
Show InChI InChI=1S/C21H22N2O/c24-21(16-9-6-10-16)22-14-13-18-17-11-4-5-12-19(17)23-20(18)15-7-2-1-3-8-15/h1-5,7-8,11-12,16,23H,6,9-10,13-14H2,(H,22,24)
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n/an/a 7.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory concentration against melatonin receptor by nonlinear fiting strategies


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471114
PNG
(CHEMBL61418)
Show SMILES COc1ccc2[nH]cc3CC(Cc1c23)NC(C)=O
Show InChI InChI=1S/C14H16N2O2/c1-8(17)16-10-5-9-7-15-12-3-4-13(18-2)11(6-10)14(9)12/h3-4,7,10,15H,5-6H2,1-2H3,(H,16,17)
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n/an/a 8.97E+3n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor of quail optica tecta with 200 pM 2-[125] iodomelatonin as gamma-S (10e-4 M)


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471113
PNG
(CHEMBL64368)
Show SMILES COC(=O)c1cc2c(CCCNC(C)=O)c(OC)ccc2[nH]1
Show InChI InChI=1S/C16H20N2O4/c1-10(19)17-8-4-5-11-12-9-14(16(20)22-3)18-13(12)6-7-15(11)21-2/h6-7,9,18H,4-5,8H2,1-3H3,(H,17,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471121
PNG
(CHEMBL60946)
Show SMILES COc1ccc2[nH]cc3C(CCc1c23)NC(C)=O
Show InChI InChI=1S/C14H16N2O2/c1-8(17)16-11-4-3-9-13(18-2)6-5-12-14(9)10(11)7-15-12/h5-7,11,15H,3-4H2,1-2H3,(H,16,17)
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Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471123
PNG
(CHEMBL302883)
Show SMILES CCC(=O)NCc1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C13H16N2O2/c1-3-13(16)15-8-9-7-14-12-5-4-10(17-2)6-11(9)12/h4-7,14H,3,8H2,1-2H3,(H,15,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50471120
PNG
(CHEMBL61216)
Show SMILES COc1ccc2[nH]ccc2c1CNC(C)=O
Show InChI InChI=1S/C12H14N2O2/c1-8(15)14-7-10-9-5-6-13-11(9)3-4-12(10)16-2/h3-6,13H,7H2,1-2H3,(H,14,15)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair
Melatonin receptor type 1A/1B


(Homo sapiens (Human))
BDBM50058672
PNG
(6-Methoxy-2,3,4,9-tetrahydro-beta-carbolin-1-one |...)
Show SMILES COc1ccc2[nH]c3c(CCNC3=O)c2c1
Show InChI InChI=1S/C12H12N2O2/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-3,6,14H,4-5H2,1H3,(H,13,15)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



Universit£ degli Studi di Urbino

Curated by ChEMBL


Assay Description
Inhibitory activity against melatonin receptor in the quail optica tecta using 2-[125] iodomelatonin as radiolabeled ligand


J Med Chem 40: 1990-2002 (1997)


Article DOI: 10.1021/jm960651z
BindingDB Entry DOI: 10.7270/Q2HD7ZCK
More data for this
Ligand-Target Pair