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Compile Data Set for Download or QSAR

Found 224 hits with Last Name = 'teh' and Initial = 'mt'   
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))
BDBM50086013
PNG
(CHEMBL10009 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]i...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OC)cc12
Show InChI InChI=1S/C22H24N2O2/c1-3-6-21(25)23-12-11-18-19-13-16(26-2)9-10-20(19)24-14-15-7-4-5-8-17(15)22(18)24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)
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0.0500n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086033
PNG
(CHEMBL9772 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]in...)
Show SMILES COc1ccc2n3Cc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H20N2O2/c1-13(23)21-10-9-17-18-11-15(24-2)7-8-19(18)22-12-14-5-3-4-6-16(14)20(17)22/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)
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0.0600n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086017
PNG
(CHEMBL9997 | N-[2-(10-Methoxy-5,6-dihydro-indolo[2...)
Show SMILES CCC(=O)NCCc1c2-c3ccccc3CCn2c2ccc(OC)cc12
Show InChI InChI=1S/C22H24N2O2/c1-3-21(25)23-12-10-18-19-14-16(26-2)8-9-20(19)24-13-11-15-6-4-5-7-17(15)22(18)24/h4-9,14H,3,10-13H2,1-2H3,(H,23,25)
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0.120n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(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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0.120n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin receptor


(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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0.150n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin receptor


(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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0.160n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melatonin receptor


(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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0.160n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086004
PNG
(CHEMBL9590 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]ind...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OCC)cc12
Show InChI InChI=1S/C23H26N2O2/c1-3-7-22(26)24-13-12-19-20-14-17(27-4-2)10-11-21(20)25-15-16-8-5-6-9-18(16)23(19)25/h5-6,8-11,14H,3-4,7,12-13,15H2,1-2H3,(H,24,26)
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0.160n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086032
PNG
(CHEMBL274317 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]...)
Show SMILES CCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OC)cc12
Show InChI InChI=1S/C21H22N2O2/c1-3-20(24)22-11-10-17-18-12-15(25-2)8-9-19(18)23-13-14-6-4-5-7-16(14)21(17)23/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)
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0.170n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
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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0.190n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Melatonin receptor


(Homo sapiens (Human))
BDBM85236
PNG
(Melatonin,2-Chloro)
Show SMILES COc1ccc2[nH]c(Cl)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15ClN2O2/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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0.200n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086029
PNG
(CHEMBL10099 | N-[2-(10-Methoxy-5,6-dihydro-indolo[...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCn2c2ccc(OC)cc12
Show InChI InChI=1S/C23H26N2O2/c1-3-6-22(26)24-13-11-19-20-15-17(27-2)9-10-21(20)25-14-12-16-7-4-5-8-18(16)23(19)25/h4-5,7-10,15H,3,6,11-14H2,1-2H3,(H,24,26)
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0.200n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086020
PNG
(CHEMBL274896 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]i...)
Show SMILES CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C21H22N2O2/c1-3-25-16-8-9-20-19(12-16)18(10-11-22-14(2)24)21-17-7-5-4-6-15(17)13-23(20)21/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,24)
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0.210n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85236
PNG
(Melatonin,2-Chloro)
Show SMILES COc1ccc2[nH]c(Cl)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15ClN2O2/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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0.220n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
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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0.240n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086028
PNG
(CHEMBL9630 | N-[2-(2-Ethoxy-6H-isoindolo[2,1-a]ind...)
Show SMILES CCOc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)CC)c2c1
Show InChI InChI=1S/C22H24N2O2/c1-3-21(25)23-12-11-18-19-13-16(26-4-2)9-10-20(19)24-14-15-7-5-6-8-17(15)22(18)24/h5-10,13H,3-4,11-12,14H2,1-2H3,(H,23,25)
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0.260n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85239
PNG
(5-MeOT-N-propionyl)
Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
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0.260n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85239
PNG
(5-MeOT-N-propionyl)
Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
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0.260n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
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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0.270n/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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0.330n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
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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0.330n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
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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0.330n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
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))
BDBM85239
PNG
(5-MeOT-N-propionyl)
Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
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0.360n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85239
PNG
(5-MeOT-N-propionyl)
Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
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0.360n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85238
PNG
(5-MeOT-N-butanyl)
Show SMILES CCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C18H25N3O2/c1-3-4-18(23)20-9-7-14-5-6-17-16(11-14)15(12-21-17)8-10-19-13(2)22/h5-6,11-12,21H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)
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0.390n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
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))
BDBM85238
PNG
(5-MeOT-N-butanyl)
Show SMILES CCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C18H25N3O2/c1-3-4-18(23)20-9-7-14-5-6-17-16(11-14)15(12-21-17)8-10-19-13(2)22/h5-6,11-12,21H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)
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0.400n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
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))
BDBM85238
PNG
(5-MeOT-N-butanyl)
Show SMILES CCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C18H25N3O2/c1-3-4-18(23)20-9-7-14-5-6-17-16(11-14)15(12-21-17)8-10-19-13(2)22/h5-6,11-12,21H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)
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0.450n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM85238
PNG
(5-MeOT-N-butanyl)
Show SMILES CCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C18H25N3O2/c1-3-4-18(23)20-9-7-14-5-6-17-16(11-14)15(12-21-17)8-10-19-13(2)22/h5-6,11-12,21H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)
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0.460n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
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))
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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0.480n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50086001
PNG
(CHEMBL274438 | N-[2-(11-Methoxy-6,7-dihydro-5H-ben...)
Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OC)cc12
Show InChI InChI=1S/C24H28N2O2/c1-3-7-23(27)25-14-13-20-21-16-18(28-2)11-12-22(21)26-15-6-9-17-8-4-5-10-19(17)24(20)26/h4-5,8,10-12,16H,3,6-7,9,13-15H2,1-2H3,(H,25,27)
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0.5n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
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))
BDBM50086005
PNG
(CHEMBL274842 | N-[2-(10-Methoxy-5,6-dihydro-indolo...)
Show SMILES COc1ccc2n3CCc4ccccc4-c3c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C21H22N2O2/c1-14(24)22-11-9-18-19-13-16(25-2)7-8-20(19)23-12-10-15-5-3-4-6-17(15)21(18)23/h3-8,13H,9-12H2,1-2H3,(H,22,24)
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0.510n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
More data for this
Ligand-Target Pair
Melatonin


(Chick)
BDBM85239
PNG
(5-MeOT-N-propionyl)
Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
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0.540n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin


(Chick)
BDBM85239
PNG
(5-MeOT-N-propionyl)
Show SMILES CCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H23N3O2/c1-3-17(22)19-8-6-13-4-5-16-15(10-13)14(11-20-16)7-9-18-12(2)21/h4-5,10-11,20H,3,6-9H2,1-2H3,(H,18,21)(H,19,22)
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0.550n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
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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0.560n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM85238
PNG
(5-MeOT-N-butanyl)
Show SMILES CCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C18H25N3O2/c1-3-4-18(23)20-9-7-14-5-6-17-16(11-14)15(12-21-17)8-10-19-13(2)22/h5-6,11-12,21H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)
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0.660n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
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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0.660n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1A expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
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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0.660n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
More data for this
Ligand-Target Pair
Melatonin 1C


(Xenopus)
BDBM85238
PNG
(5-MeOT-N-butanyl)
Show SMILES CCCC(=O)NCCc1ccc2[nH]cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C18H25N3O2/c1-3-4-18(23)20-9-7-14-5-6-17-16(11-14)15(12-21-17)8-10-19-13(2)22/h5-6,11-12,21H,3-4,7-10H2,1-2H3,(H,19,22)(H,20,23)
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0.660n/an/an/an/an/an/an/an/a



King's College London

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 358: 522-8 (1998)


Article DOI: 10.1007/pl00005288
BindingDB Entry DOI: 10.7270/Q2WW7G6S
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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0.660n/an/an/an/an/an/an/an/a



King's College

Curated by PDSP Ki Database




Biol Cell 89: 531-7 (1997)


Article DOI: 10.1016/s0248-4900(98)80009-9
BindingDB Entry DOI: 10.7270/Q2JS9P06
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))
BDBM50086011
PNG
(CHEMBL10110 | Cyclopropanecarboxylic acid [2-(2-me...)
Show SMILES COc1ccc2n3Cc4ccccc4-c3c(CCNC(=O)C3CC3)c2c1
Show InChI InChI=1S/C22H22N2O2/c1-26-16-8-9-20-19(12-16)18(10-11-23-22(25)14-6-7-14)21-17-5-3-2-4-15(17)13-24(20)21/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3,(H,23,25)
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0.950n/an/an/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...


J Med Chem 43: 1050-61 (2000)


BindingDB Entry DOI: 10.7270/Q2VQ33DC
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
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