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Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'davidson' and Initial = 'k'   
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))
BDBM50188394
PNG
((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...)
Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)
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0.270n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
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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0.350n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
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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0.390n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188394
PNG
((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...)
Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)
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0.410n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188417
PNG
(CHEMBL377101 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C17H24N2O2/c1-5-6-17(20)18-10-12(2)15-11-19(3)16-8-7-13(21-4)9-14(15)16/h7-9,11-12H,5-6,10H2,1-4H3,(H,18,20)
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0.470n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188394
PNG
((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...)
Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)
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0.5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188406
PNG
(CHEMBL207745 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C18H26N2O2/c1-6-7-17(21)19-12-18(2,3)15-11-20(4)16-9-8-13(22-5)10-14(15)16/h8-11H,6-7,12H2,1-5H3,(H,19,21)
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0.740n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188408
PNG
(CHEMBL207625 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCCC(=O)NCC1(CCC1)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C19H26N2O2/c1-4-6-18(22)20-13-19(9-5-10-19)16-12-21(2)17-8-7-14(23-3)11-15(16)17/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,20,22)
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0.860n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188402
PNG
(CHEMBL379616 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C16H22N2O2/c1-5-16(19)17-9-11(2)14-10-18(3)15-7-6-12(20-4)8-13(14)15/h6-8,10-11H,5,9H2,1-4H3,(H,17,19)
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1.02n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188423
PNG
(CHEMBL206472 | beta,beta-dimethylmelatonin)
Show SMILES COc1ccc2[nH]cc(c2c1)C(C)(C)CNC(C)=O
Show InChI InChI=1S/C15H20N2O2/c1-10(18)17-9-15(2,3)13-8-16-14-6-5-11(19-4)7-12(13)14/h5-8,16H,9H2,1-4H3,(H,17,18)
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1.12n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188411
PNG
(CHEMBL426127 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C17H24N2O2/c1-6-16(20)18-11-17(2,3)14-10-19(4)15-8-7-12(21-5)9-13(14)15/h7-10H,6,11H2,1-5H3,(H,18,20)
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1.15n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188394
PNG
((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...)
Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)
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1.22n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188420
PNG
(CHEMBL208307 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES COc1ccc2n(C)cc(c2c1)C(C)(C)CNC(C)=O
Show InChI InChI=1S/C16H22N2O2/c1-11(19)17-10-16(2,3)14-9-18(4)15-7-6-12(20-5)8-13(14)15/h6-9H,10H2,1-5H3,(H,17,19)
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1.29n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188412
PNG
(CHEMBL210147 | beta-methylmelatonin)
Show SMILES COc1ccc2[nH]cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C14H18N2O2/c1-9(7-15-10(2)17)13-8-16-14-5-4-11(18-3)6-12(13)14/h4-6,8-9,16H,7H2,1-3H3,(H,15,17)
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1.67n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188423
PNG
(CHEMBL206472 | beta,beta-dimethylmelatonin)
Show SMILES COc1ccc2[nH]cc(c2c1)C(C)(C)CNC(C)=O
Show InChI InChI=1S/C15H20N2O2/c1-10(18)17-9-15(2,3)13-8-16-14-6-5-11(19-4)7-12(13)14/h5-8,16H,9H2,1-4H3,(H,17,18)
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2.75n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188412
PNG
(CHEMBL210147 | beta-methylmelatonin)
Show SMILES COc1ccc2[nH]cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C14H18N2O2/c1-9(7-15-10(2)17)13-8-16-14-5-4-11(18-3)6-12(13)14/h4-6,8-9,16H,7H2,1-3H3,(H,15,17)
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2.94n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188400
PNG
(CHEMBL207960 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES COc1ccc2[nH]cc(c2c1)C1(CNC(C)=O)CCC1
Show InChI InChI=1S/C16H20N2O2/c1-11(19)18-10-16(6-3-7-16)14-9-17-15-5-4-12(20-2)8-13(14)15/h4-5,8-9,17H,3,6-7,10H2,1-2H3,(H,18,19)
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3.30n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188417
PNG
(CHEMBL377101 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C17H24N2O2/c1-5-6-17(20)18-10-12(2)15-11-19(3)16-8-7-13(21-4)9-14(15)16/h7-9,11-12H,5-6,10H2,1-4H3,(H,18,20)
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4.27n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188401
PNG
(CHEMBL424693 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCC(=O)NCC1(CCC1)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C18H24N2O2/c1-4-17(21)19-12-18(8-5-9-18)15-11-20(2)16-7-6-13(22-3)10-14(15)16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)
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4.40n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188402
PNG
(CHEMBL379616 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCC(=O)NCC(C)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C16H22N2O2/c1-5-16(19)17-9-11(2)14-10-18(3)15-7-6-12(20-4)8-13(14)15/h6-8,10-11H,5,9H2,1-4H3,(H,17,19)
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4.90n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188394
PNG
((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...)
Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)
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5.48n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188411
PNG
(CHEMBL426127 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C17H24N2O2/c1-6-16(20)18-11-17(2,3)14-10-19(4)15-8-7-12(21-5)9-13(14)15/h7-10H,6,11H2,1-5H3,(H,18,20)
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6.03n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188422
PNG
(CHEMBL209712 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCCC(=O)NCC1(CC1)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C18H24N2O2/c1-4-5-17(21)19-12-18(8-9-18)15-11-20(2)16-7-6-13(22-3)10-14(15)16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)
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7.5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188394
PNG
((+)-N-(2-[5-methoxy-1-methyl-1H-indol-3-yl]propyl)...)
Show SMILES COc1ccc2n(C)cc(C(C)CNC(C)=O)c2c1
Show InChI InChI=1S/C15H20N2O2/c1-10(8-16-11(2)18)14-9-17(3)15-6-5-12(19-4)7-13(14)15/h5-7,9-10H,8H2,1-4H3,(H,16,18)
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7.71n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188400
PNG
(CHEMBL207960 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES COc1ccc2[nH]cc(c2c1)C1(CNC(C)=O)CCC1
Show InChI InChI=1S/C16H20N2O2/c1-11(19)18-10-16(6-3-7-16)14-9-17-15-5-4-12(20-2)8-13(14)15/h4-5,8-9,17H,3,6-7,10H2,1-2H3,(H,18,19)
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8.20n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188406
PNG
(CHEMBL207745 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCCC(=O)NCC(C)(C)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C18H26N2O2/c1-6-7-17(21)19-12-18(2,3)15-11-20(4)16-9-8-13(22-5)10-14(15)16/h8-11H,6-7,12H2,1-5H3,(H,19,21)
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8.51n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188408
PNG
(CHEMBL207625 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCCC(=O)NCC1(CCC1)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C19H26N2O2/c1-4-6-18(22)20-13-19(9-5-10-19)16-12-21(2)17-8-7-14(23-3)11-15(16)17/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,20,22)
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10.6n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188420
PNG
(CHEMBL208307 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES COc1ccc2n(C)cc(c2c1)C(C)(C)CNC(C)=O
Show InChI InChI=1S/C16H22N2O2/c1-11(19)17-10-16(2,3)14-9-18(4)15-7-6-12(20-5)8-13(14)15/h6-9H,10H2,1-5H3,(H,17,19)
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11.5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188413
PNG
(CHEMBL206790 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES COc1ccc2[nH]cc(c2c1)C1(CNC(=O)C2CC2)CCC1
Show InChI InChI=1S/C18H22N2O2/c1-22-13-5-6-16-14(9-13)15(10-19-16)18(7-2-8-18)11-20-17(21)12-3-4-12/h5-6,9-10,12,19H,2-4,7-8,11H2,1H3,(H,20,21)
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28.9n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188416
PNG
(CHEMBL207420 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES CCC(=O)NCC1(CCC1)c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C17H22N2O2/c1-3-16(20)19-11-17(7-4-8-17)14-10-18-15-6-5-12(21-2)9-13(14)15/h5-6,9-10,18H,3-4,7-8,11H2,1-2H3,(H,19,20)
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32n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188403
PNG
(CHEMBL382439 | N-(2-(5-methoxy-1-methyl-1H-indol-3...)
Show SMILES COc1ccc2n(C)cc(c2c1)C(C)(C)CNC(=O)C1CCC1
Show InChI InChI=1S/C19H26N2O2/c1-19(2,12-20-18(22)13-6-5-7-13)16-11-21(3)17-9-8-14(23-4)10-15(16)17/h8-11,13H,5-7,12H2,1-4H3,(H,20,22)
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33.1n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188401
PNG
(CHEMBL424693 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCC(=O)NCC1(CCC1)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C18H24N2O2/c1-4-17(21)19-12-18(8-5-9-18)15-11-20(2)16-7-6-13(22-3)10-14(15)16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)
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34n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188410
PNG
(CHEMBL377871 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCC(=O)NCC1(CC1)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C17H22N2O2/c1-4-16(20)18-11-17(7-8-17)14-10-19(2)15-6-5-12(21-3)9-13(14)15/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,18,20)
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39n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188397
PNG
(CHEMBL207676 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES CCCC(=O)NCC1(CCC1)c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C18H24N2O2/c1-3-5-17(21)20-12-18(8-4-9-18)15-11-19-16-7-6-13(22-2)10-14(15)16/h6-7,10-11,19H,3-5,8-9,12H2,1-2H3,(H,20,21)
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57.4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188413
PNG
(CHEMBL206790 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES COc1ccc2[nH]cc(c2c1)C1(CNC(=O)C2CC2)CCC1
Show InChI InChI=1S/C18H22N2O2/c1-22-13-5-6-16-14(9-13)15(10-19-16)18(7-2-8-18)11-20-17(21)12-3-4-12/h5-6,9-10,12,19H,2-4,7-8,11H2,1H3,(H,20,21)
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57.8n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188395
PNG
(CHEMBL377809 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES COc1ccc2[nH]cc(c2c1)C1(CNC(=O)C2CCC2)CCC1
Show InChI InChI=1S/C19H24N2O2/c1-23-14-6-7-17-15(10-14)16(11-20-17)19(8-3-9-19)12-21-18(22)13-4-2-5-13/h6-7,10-11,13,20H,2-5,8-9,12H2,1H3,(H,21,22)
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62.2n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188416
PNG
(CHEMBL207420 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES CCC(=O)NCC1(CCC1)c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C17H22N2O2/c1-3-16(20)19-11-17(7-4-8-17)14-10-18-15-6-5-12(21-2)9-13(14)15/h5-6,9-10,18H,3-4,7-8,11H2,1-2H3,(H,19,20)
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65.7n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188414
PNG
(CHEMBL379403 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(C)=O)CCCC1
Show InChI InChI=1S/C18H24N2O2/c1-13(21)19-12-18(8-4-5-9-18)16-11-20(2)17-7-6-14(22-3)10-15(16)17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)
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66.1n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188419
PNG
(CHEMBL379413 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(C)=O)CCC1
Show InChI InChI=1S/C17H22N2O2/c1-12(20)18-11-17(7-4-8-17)15-10-19(2)16-6-5-13(21-3)9-14(15)16/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,18,20)
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72n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188396
PNG
(CHEMBL206419 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCCC(=O)NCC1(CCCC1)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C20H28N2O2/c1-4-7-19(23)21-14-20(10-5-6-11-20)17-13-22(2)18-9-8-15(24-3)12-16(17)18/h8-9,12-13H,4-7,10-11,14H2,1-3H3,(H,21,23)
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85.1n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188410
PNG
(CHEMBL377871 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCC(=O)NCC1(CC1)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C17H22N2O2/c1-4-16(20)18-11-17(7-8-17)14-10-19(2)15-6-5-12(21-3)9-13(14)15/h5-6,9-10H,4,7-8,11H2,1-3H3,(H,18,20)
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86n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188424
PNG
(CHEMBL209711 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(C)=O)CC1
Show InChI InChI=1S/C16H20N2O2/c1-11(19)17-10-16(6-7-16)14-9-18(2)15-5-4-12(20-3)8-13(14)15/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,19)
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90n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188404
PNG
(CHEMBL382555 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCC(=O)NCC1(CCCC1)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C19H26N2O2/c1-4-18(22)20-13-19(9-5-6-10-19)16-12-21(2)17-8-7-14(23-3)11-15(16)17/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,20,22)
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102n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188397
PNG
(CHEMBL207676 | N-(2-[5-methoxy-1H-indol-3-yl]-2,2-...)
Show SMILES CCCC(=O)NCC1(CCC1)c1c[nH]c2ccc(OC)cc12
Show InChI InChI=1S/C18H24N2O2/c1-3-5-17(21)20-12-18(8-4-9-18)15-11-19-16-7-6-13(22-2)10-14(15)16/h6-7,10-11,19H,3-5,8-9,12H2,1-2H3,(H,20,21)
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116n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188405
PNG
(CHEMBL382579 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(=O)C2CC2)CCC1
Show InChI InChI=1S/C19H24N2O2/c1-21-11-16(15-10-14(23-2)6-7-17(15)21)19(8-3-9-19)12-20-18(22)13-4-5-13/h6-7,10-11,13H,3-5,8-9,12H2,1-2H3,(H,20,22)
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138n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188414
PNG
(CHEMBL379403 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(C)=O)CCCC1
Show InChI InChI=1S/C18H24N2O2/c1-13(21)19-12-18(8-4-5-9-18)16-11-20(2)17-7-6-14(22-3)10-15(16)17/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)
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148n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188403
PNG
(CHEMBL382439 | N-(2-(5-methoxy-1-methyl-1H-indol-3...)
Show SMILES COc1ccc2n(C)cc(c2c1)C(C)(C)CNC(=O)C1CCC1
Show InChI InChI=1S/C19H26N2O2/c1-19(2,12-20-18(22)13-6-5-7-13)16-11-21(3)17-9-8-14(23-4)10-15(16)17/h8-11,13H,5-7,12H2,1-4H3,(H,20,22)
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170n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188424
PNG
(CHEMBL209711 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(C)=O)CC1
Show InChI InChI=1S/C16H20N2O2/c1-11(19)17-10-16(6-7-16)14-9-18(2)15-5-4-12(20-3)8-13(14)15/h4-5,8-9H,6-7,10H2,1-3H3,(H,17,19)
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176n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188422
PNG
(CHEMBL209712 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES CCCC(=O)NCC1(CC1)c1cn(C)c2ccc(OC)cc12
Show InChI InChI=1S/C18H24N2O2/c1-4-5-17(21)19-12-18(8-9-18)15-11-20(2)16-7-6-13(22-3)10-14(15)16/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H,19,21)
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212n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50188415
PNG
(CHEMBL206471 | N-(2-[5-methoxy-1-methyl-1H-indol-3...)
Show SMILES COc1ccc2n(C)cc(c2c1)C1(CNC(=O)C2CC2)CCCC1
Show InChI InChI=1S/C20H26N2O2/c1-22-12-17(16-11-15(24-2)7-8-18(16)22)20(9-3-4-10-20)13-21-19(23)14-5-6-14/h7-8,11-12,14H,3-6,9-10,13H2,1-2H3,(H,21,23)
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257n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells


J Med Chem 49: 3509-19 (2006)


Article DOI: 10.1021/jm0512544
BindingDB Entry DOI: 10.7270/Q2JW8DJQ
More data for this
Ligand-Target Pair
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