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18 similar compounds to monomer 50035179

Compile data set for download or QSAR
Wt: 287.3
BDBM50035202
Wt: 498.6
BDBM50125754
Wt: 484.5
BDBM50125756
Wt: 512.6
BDBM50125757
Wt: 319.3
BDBM50278332
Wt: 273.3
BDBM50290234
Wt: 283.3
BDBM50363765
Wt: 269.3
BDBM50363764
Wt: 271.3
BDBM50408657
Wt: 271.3
BDBM50408649
Wt: 267.3
BDBM50408565
Wt: 333.4
BDBM50408570
Wt: 257.3
BDBM50408584
Wt: 283.3
BDBM50408591
Wt: 285.3
BDBM50408598
Displayed 1 to 15 (of 18 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 36 hits for monomerid = 50035202,50125754,50125756,50125757,50278332,50290234,50363765,50363764,50408657,50408649,50408565,50408570,50408584,50408591,50408598   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melatonin receptor


(Homo sapiens (Human))
BDBM50035202
PNG
(CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12
Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
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0.0990n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells


Bioorg Med Chem Lett 7: 2409-2414 (1997)


Article DOI: 10.1016/S0960-894X(97)00444-7
BindingDB Entry DOI: 10.7270/Q25T3KFF
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035202
PNG
(CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12
Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
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0.0990n/an/an/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1A expressed in CHO cells


J Med Chem 40: 4195-8 (1998)


Article DOI: 10.1021/jm970437q
BindingDB Entry DOI: 10.7270/Q2930S90
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035202
PNG
(CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12
Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
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0.380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells


Bioorg Med Chem Lett 7: 2409-2414 (1997)


Article DOI: 10.1016/S0960-894X(97)00444-7
BindingDB Entry DOI: 10.7270/Q25T3KFF
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50035202
PNG
(CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12
Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
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0.380n/an/an/an/an/an/an/an/a



Duquesne University

Curated by ChEMBL


Assay Description
Inhibition of the 2-[125I]- iodomelatonin binding to Melatonin receptor type 1B expressed in CHO cells


J Med Chem 40: 4195-8 (1998)


Article DOI: 10.1021/jm970437q
BindingDB Entry DOI: 10.7270/Q2930S90
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125754
PNG
(CHEMBL429392 | N,N'-(2,2'-(7,7'-(propane-1,3-diylb...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H34N2O4/c1-22(34)32-16-14-26-8-3-6-24-10-12-28(20-30(24)26)36-18-5-19-37-29-13-11-25-7-4-9-27(31(25)21-29)15-17-33-23(2)35/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,32,34)(H,33,35)
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0.5n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125754
PNG
(CHEMBL429392 | N,N'-(2,2'-(7,7'-(propane-1,3-diylb...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H34N2O4/c1-22(34)32-16-14-26-8-3-6-24-10-12-28(20-30(24)26)36-18-5-19-37-29-13-11-25-7-4-9-27(31(25)21-29)15-17-33-23(2)35/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,32,34)(H,33,35)
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0.5n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Binding affinity to MT1 receptor (unknown origin) expressed in HEK cells


J Med Chem 57: 3161-85 (2014)


Article DOI: 10.1021/jm401343c
BindingDB Entry DOI: 10.7270/Q218381K
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125757
PNG
(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
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0.600n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


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


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125757
PNG
(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
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0.600n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125757
PNG
(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
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0.600n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Binding affinity to MT1 receptor (unknown origin) expressed in HEK cells


J Med Chem 57: 3161-85 (2014)


Article DOI: 10.1021/jm401343c
BindingDB Entry DOI: 10.7270/Q218381K
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50290234
PNG
(CHEMBL440692 | N-[2-(2-Hydroxy-7-methoxy-naphthale...)
Show SMILES CCC(=O)NCCc1c(O)ccc2ccc(OC)cc12
Show InChI InChI=1S/C16H19NO3/c1-3-16(19)17-9-8-13-14-10-12(20-2)6-4-11(14)5-7-15(13)18/h4-7,10,18H,3,8-9H2,1-2H3,(H,17,19)
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1.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 2-[125I]-Iodomelatonin binding to human Melatonin receptor type 1B expressed in CHO cells


Bioorg Med Chem Lett 7: 2409-2414 (1997)


Article DOI: 10.1016/S0960-894X(97)00444-7
BindingDB Entry DOI: 10.7270/Q25T3KFF
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125756
PNG
(CHEMBL14514 | N-[2-(7-{2-[8-(2-Acetylamino-ethyl)-...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C30H32N2O4/c1-21(33)31-15-13-25-7-3-5-23-9-11-27(19-29(23)25)35-17-18-36-28-12-10-24-6-4-8-26(30(24)20-28)14-16-32-22(2)34/h3-12,19-20H,13-18H2,1-2H3,(H,31,33)(H,32,34)
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2.05n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50290234
PNG
(CHEMBL440692 | N-[2-(2-Hydroxy-7-methoxy-naphthale...)
Show SMILES CCC(=O)NCCc1c(O)ccc2ccc(OC)cc12
Show InChI InChI=1S/C16H19NO3/c1-3-16(19)17-9-8-13-14-10-12(20-2)6-4-11(14)5-7-15(13)18/h4-7,10,18H,3,8-9H2,1-2H3,(H,17,19)
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of 2-[125I]-Iodomelatonin from human Melatonin receptor type 1A expressed in CHO cells


Bioorg Med Chem Lett 7: 2409-2414 (1997)


Article DOI: 10.1016/S0960-894X(97)00444-7
BindingDB Entry DOI: 10.7270/Q25T3KFF
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125757
PNG
(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
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3.10n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


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


J Med Chem 57: 3161-85 (2014)


Article DOI: 10.1021/jm401343c
BindingDB Entry DOI: 10.7270/Q218381K
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125754
PNG
(CHEMBL429392 | N,N'-(2,2'-(7,7'-(propane-1,3-diylb...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H34N2O4/c1-22(34)32-16-14-26-8-3-6-24-10-12-28(20-30(24)26)36-18-5-19-37-29-13-11-25-7-4-9-27(31(25)21-29)15-17-33-23(2)35/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,32,34)(H,33,35)
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3.90n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


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


J Med Chem 57: 3161-85 (2014)


Article DOI: 10.1021/jm401343c
BindingDB Entry DOI: 10.7270/Q218381K
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125757
PNG
(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
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72.7n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125757
PNG
(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
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73n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Binding affinity to MT2 receptor (unknown origin) expressed in HEK cells


J Med Chem 57: 3161-85 (2014)


Article DOI: 10.1021/jm401343c
BindingDB Entry DOI: 10.7270/Q218381K
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125757
PNG
(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
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73n/an/an/an/an/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


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


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125754
PNG
(CHEMBL429392 | N,N'-(2,2'-(7,7'-(propane-1,3-diylb...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H34N2O4/c1-22(34)32-16-14-26-8-3-6-24-10-12-28(20-30(24)26)36-18-5-19-37-29-13-11-25-7-4-9-27(31(25)21-29)15-17-33-23(2)35/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,32,34)(H,33,35)
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112n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125754
PNG
(CHEMBL429392 | N,N'-(2,2'-(7,7'-(propane-1,3-diylb...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H34N2O4/c1-22(34)32-16-14-26-8-3-6-24-10-12-28(20-30(24)26)36-18-5-19-37-29-13-11-25-7-4-9-27(31(25)21-29)15-17-33-23(2)35/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,32,34)(H,33,35)
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112n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


Assay Description
Binding affinity to MT2 receptor (unknown origin) expressed in HEK cells


J Med Chem 57: 3161-85 (2014)


Article DOI: 10.1021/jm401343c
BindingDB Entry DOI: 10.7270/Q218381K
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50363765
PNG
(CHEMBL1946234)
Show SMILES COc1ccc2cc(CC=C)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C18H21NO2/c1-4-5-14-10-15-6-7-17(21-3)12-18(15)16(11-14)8-9-19-13(2)20/h4,6-7,10-12H,1,5,8-9H2,2-3H3,(H,19,20)
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144n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor expressed in CHO cells after 60 mins


Eur J Med Chem 49: 310-23 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.027
BindingDB Entry DOI: 10.7270/Q2319WBJ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125754
PNG
(CHEMBL429392 | N,N'-(2,2'-(7,7'-(propane-1,3-diylb...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H34N2O4/c1-22(34)32-16-14-26-8-3-6-24-10-12-28(20-30(24)26)36-18-5-19-37-29-13-11-25-7-4-9-27(31(25)21-29)15-17-33-23(2)35/h3-4,6-13,20-21H,5,14-19H2,1-2H3,(H,32,34)(H,33,35)
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149n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


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


J Med Chem 57: 3161-85 (2014)


Article DOI: 10.1021/jm401343c
BindingDB Entry DOI: 10.7270/Q218381K
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125757
PNG
(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
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167n/an/an/an/an/an/an/an/a



The German University in Cairo

Curated by ChEMBL


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


J Med Chem 57: 3161-85 (2014)


Article DOI: 10.1021/jm401343c
BindingDB Entry DOI: 10.7270/Q218381K
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125756
PNG
(CHEMBL14514 | N-[2-(7-{2-[8-(2-Acetylamino-ethyl)-...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C30H32N2O4/c1-21(33)31-15-13-25-7-3-5-23-9-11-27(19-29(23)25)35-17-18-36-28-12-10-24-6-4-8-26(30(24)20-28)14-16-32-22(2)34/h3-12,19-20H,13-18H2,1-2H3,(H,31,33)(H,32,34)
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182n/an/an/an/an/an/an/an/a



Université de Lille 2

Curated by ChEMBL


Assay Description
Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...


J Med Chem 46: 1127-9 (2003)


Article DOI: 10.1021/jm0255872
BindingDB Entry DOI: 10.7270/Q2FT8KDC
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50363764
PNG
(CHEMBL1946233)
Show SMILES COc1ccc2cc(C=C)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C17H19NO2/c1-4-13-9-14-5-6-16(20-3)11-17(14)15(10-13)7-8-18-12(2)19/h4-6,9-11H,1,7-8H2,2-3H3,(H,18,19)
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1.00E+3n/an/an/an/an/an/an/an/a



Universit£ Lille Nord de France

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor expressed in CHO cells after 60 mins


Eur J Med Chem 49: 310-23 (2012)


Article DOI: 10.1016/j.ejmech.2012.01.027
BindingDB Entry DOI: 10.7270/Q2319WBJ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125757
PNG
(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
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n/an/an/an/a 405n/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human human MT2 receptor expressed in CHO cells by [35S]GTPgamma binding assay


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50125757
PNG
(CHEMBL14453 | N,N'-(2,2'-(7,7'-(butane-1,4-diylbis...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C32H36N2O4/c1-23(35)33-17-15-27-9-5-7-25-11-13-29(21-31(25)27)37-19-3-4-20-38-30-14-12-26-8-6-10-28(32(26)22-30)16-18-34-24(2)36/h5-14,21-22H,3-4,15-20H2,1-2H3,(H,33,35)(H,34,36)
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n/an/an/an/a 73n/an/an/an/a



Univ Lille Nord de France

Curated by ChEMBL


Assay Description
Agonist activity at human human MT1 receptor expressed in CHO cells by [35S]GTPgamma binding assay


Bioorg Med Chem 18: 3426-36 (2010)


Article DOI: 10.1016/j.bmc.2010.04.008
BindingDB Entry DOI: 10.7270/Q29S1S07
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408565
PNG
(CHEMBL137910)
Show SMILES CC(=O)NCCc1cccc2ccc(OCC#C)cc12
Show InChI InChI=1S/C17H17NO2/c1-3-11-20-16-8-7-14-5-4-6-15(17(14)12-16)9-10-18-13(2)19/h1,4-8,12H,9-11H2,2H3,(H,18,19)
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n/an/a 5.01n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408570
PNG
(CHEMBL138201)
Show SMILES COc1ccc2cc(Cc3ccccc3)cc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C22H23NO2/c1-16(24)23-11-10-20-14-18(12-17-6-4-3-5-7-17)13-19-8-9-21(25-2)15-22(19)20/h3-9,13-15H,10-12H2,1-2H3,(H,23,24)
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n/an/a 15.8n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50278332
PNG
(CHEMBL469992 | N-[2-(4-methoxyphenyl)ethyl]-2-naph...)
Show SMILES COc1ccc(CCNC(=O)Cc2cccc3ccccc23)cc1
Show InChI InChI=1S/C21H21NO2/c1-24-19-11-9-16(10-12-19)13-14-22-21(23)15-18-7-4-6-17-5-2-3-8-20(17)18/h2-12H,13-15H2,1H3,(H,22,23)
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n/an/a 6.90E+4n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PTP1B (unknown origin)


Bioorg Med Chem Lett 19: 2320-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.058
BindingDB Entry DOI: 10.7270/Q25X28T9
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408591
PNG
(CHEMBL138766)
Show SMILES CCC(=O)NCCc1cccc2ccc(OCC=C)cc12
Show InChI InChI=1S/C18H21NO2/c1-3-12-21-16-9-8-14-6-5-7-15(17(14)13-16)10-11-19-18(20)4-2/h3,5-9,13H,1,4,10-12H2,2H3,(H,19,20)
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n/an/a 2n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408598
PNG
(CHEMBL139410)
Show SMILES CCCc1cc(CCNC(C)=O)c2cc(OC)ccc2c1
Show InChI InChI=1S/C18H23NO2/c1-4-5-14-10-15-6-7-17(21-3)12-18(15)16(11-14)8-9-19-13(2)20/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,19,20)
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n/an/a 6.31n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408649
PNG
(CHEMBL37703)
Show SMILES COc1ccc2cccc(CCNC(=O)C(C)C)c2c1
Show InChI InChI=1S/C17H21NO2/c1-12(2)17(19)18-10-9-14-6-4-5-13-7-8-15(20-3)11-16(13)14/h4-8,11-12H,9-10H2,1-3H3,(H,18,19)
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n/an/a 2.51n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408657
PNG
(CHEMBL137878)
Show SMILES CCOc1ccc2cccc(CCNC(=O)CC)c2c1
Show InChI InChI=1S/C17H21NO2/c1-3-17(19)18-11-10-14-7-5-6-13-8-9-15(20-4-2)12-16(13)14/h5-9,12H,3-4,10-11H2,1-2H3,(H,18,19)
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n/an/a 0.794n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair
Ribosyldihydronicotinamide dehydrogenase [quinone]


(Homo sapiens (Human))
BDBM50408649
PNG
(CHEMBL37703)
Show SMILES COc1ccc2cccc(CCNC(=O)C(C)C)c2c1
Show InChI InChI=1S/C17H21NO2/c1-12(2)17(19)18-10-9-14-6-4-5-13-7-8-15(20-3)11-16(13)14/h4-8,11-12H,9-10H2,1-3H3,(H,18,19)
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n/an/a 43.6n/an/an/an/an/an/a



Lanzhou University

Curated by ChEMBL


Assay Description
Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells


Eur J Med Chem 43: 2861-9 (2008)


Article DOI: 10.1016/j.ejmech.2008.02.012
BindingDB Entry DOI: 10.7270/Q21C1Z31
More data for this
Ligand-Target Pair
Melatonin receptor


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



Universite de Lille

Curated by ChEMBL


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


J Med Chem 35: 1484-6 (1992)


Article DOI: 10.1021/jm00086a018
BindingDB Entry DOI: 10.7270/Q2B85BB0
More data for this
Ligand-Target Pair
Melatonin receptor


(Homo sapiens (Human))
BDBM50408584
PNG
(CHEMBL137998)
Show SMILES CCOc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C16H19NO2/c1-3-19-15-8-7-13-5-4-6-14(16(13)11-15)9-10-17-12(2)18/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)
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n/an/a 0.794n/an/an/an/an/an/a



Universit£ d'Orl£ans

Curated by ChEMBL


Assay Description
Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates.


J Med Chem 41: 4453-65 (1998)


Article DOI: 10.1021/jm980026p
BindingDB Entry DOI: 10.7270/Q2B27WHJ
More data for this
Ligand-Target Pair