Compile Data Set for Download or QSAR
Found 1674 with Last Name = 'delagrange' and Initial = 'p'
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50093262(CHEMBL131252 | N-(9-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES CCCC(=O)NCC1CCc2cccc3ccc(OC)c1c23
Show InChI InChI=1S/C19H23NO2/c1-3-5-17(21)20-12-15-9-8-13-6-4-7-14-10-11-16(22-2)19(15)18(13)14/h4,6-7,10-11,15H,3,5,8-9,12H2,1-2H3,(H,20,21)
Affinity DataKi:  0.00800nMAssay Description:Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50114718(But-3-enoic acid [2-(5-methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(=O)CC=C)c2c1)-c1ccccc1
Show InChI InChI=1S/C21H21NO3/c1-3-7-20(23)22-13-12-17-18-14-16(24-2)10-11-19(18)25-21(17)15-8-5-4-6-9-15/h3-6,8-11,14H,1,7,12-13H2,2H3,(H,22,23)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50114703(CHEMBL287560 | N-[2-(5-Methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H19NO3/c1-13(21)20-11-10-16-17-12-15(22-2)8-9-18(17)23-19(16)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50093275(CHEMBL132802 | N-(9-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES COc1ccc2cccc3CCC(CNC(C)=O)c1c23
Show InChI InChI=1S/C17H19NO2/c1-11(19)18-10-14-7-6-12-4-3-5-13-8-9-15(20-2)17(14)16(12)13/h3-5,8-9,14H,6-7,10H2,1-2H3,(H,18,19)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50114725(CHEMBL314512 | N-[2-(5-Methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(=O)C=C)c2c1)-c1ccccc1
Show InChI InChI=1S/C20H19NO3/c1-3-19(22)21-12-11-16-17-13-15(23-2)9-10-18(17)24-20(16)14-7-5-4-6-8-14/h3-10,13H,1,11-12H2,2H3,(H,21,22)
Affinity DataKi:  0.0100nMAssay Description:Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50093293(CHEMBL336054 | N-(4,9-Dimethoxy-2,3-dihydro-1H-phe...)
Show SMILES CCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23
Show InChI InChI=1S/C19H23NO3/c1-4-17(21)20-11-13-5-8-14-15(22-2)9-6-12-7-10-16(23-3)19(13)18(12)14/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,20,21)
Affinity DataKi:  0.0120nMAssay Description:Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM29611(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)
Affinity DataKi:  0.0130nMAssay Description:Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50093286(CHEMBL336509 | N-(4,9-Dimethoxy-2,3-dihydro-1H-phe...)
Show SMILES COc1ccc2ccc(OC)c3C(CNC(C)=O)CCc1c23
Show InChI InChI=1S/C18H21NO3/c1-11(20)19-10-13-4-7-14-15(21-2)8-5-12-6-9-16(22-3)18(13)17(12)14/h5-6,8-9,13H,4,7,10H2,1-3H3,(H,19,20)
Affinity DataKi:  0.0150nMAssay Description:Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50093279(CHEMBL340832 | N-(4,9-Dimethoxy-2,3-dihydro-1H-phe...)
Show SMILES CCCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23
Show InChI InChI=1S/C20H25NO3/c1-4-5-18(22)21-12-14-6-9-15-16(23-2)10-7-13-8-11-17(24-3)20(14)19(13)15/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,21,22)
Affinity DataKi:  0.0160nMAssay Description:Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50114725(CHEMBL314512 | N-[2-(5-Methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(=O)C=C)c2c1)-c1ccccc1
Show InChI InChI=1S/C20H19NO3/c1-3-19(22)21-12-11-16-17-13-15(23-2)9-10-18(17)24-20(16)14-7-5-4-6-8-14/h3-10,13H,1,11-12H2,2H3,(H,21,22)
Affinity DataKi:  0.0200nMAssay Description:Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50114718(But-3-enoic acid [2-(5-methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(=O)CC=C)c2c1)-c1ccccc1
Show InChI InChI=1S/C21H21NO3/c1-3-7-20(23)22-13-12-17-18-14-16(24-2)10-11-19(18)25-21(17)15-8-5-4-6-9-15/h3-6,8-11,14H,1,7,12-13H2,2H3,(H,22,23)
Affinity DataKi:  0.0200nMAssay Description:Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50114703(CHEMBL287560 | N-[2-(5-Methoxy-2-phenyl-benzofuran...)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2c1)-c1ccccc1
Show InChI InChI=1S/C19H19NO3/c1-13(21)20-11-10-16-17-12-15(22-2)8-9-18(17)23-19(16)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)
Affinity DataKi:  0.0200nMAssay Description:Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50093263(CHEMBL133416 | Cyclopropanecarboxylic acid (4,9-di...)
Show SMILES COc1ccc2ccc(OC)c3C(CNC(=O)C4CC4)CCc1c23
Show InChI InChI=1S/C20H23NO3/c1-23-16-9-6-12-7-10-17(24-2)19-14(5-8-15(16)18(12)19)11-21-20(22)13-3-4-13/h6-7,9-10,13-14H,3-5,8,11H2,1-2H3,(H,21,22)
Affinity DataKi:  0.0260nMAssay Description:Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50139844(CHEMBL3763503)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccc(F)cc1
Show InChI InChI=1S/C18H17FN2O3/c1-11(22)20-10-9-14-17-15(7-8-16(21-17)23-2)24-18(14)12-3-5-13(19)6-4-12/h3-8H,9-10H2,1-2H3,(H,20,22)
Affinity DataKi:  0.0300nMAssay Description:Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assayMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50230960(CHEMBL4089965)
Show SMILES COc1ccc2cccc(CCC(=O)NS(C)(=O)=O)c2n1
Show InChI InChI=1S/C14H16N2O4S/c1-20-13-9-7-11-5-3-4-10(14(11)15-13)6-8-12(17)16-21(2,18)19/h3-5,7,9H,6,8H2,1-2H3,(H,16,17)
Affinity DataKi:  0.0300nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50425202(CHEMBL2314259)
Show SMILES COc1ccc2ccc(OC)c(\C=C\NC(C)=O)c2c1
Show InChI InChI=1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+
Affinity DataKi:  0.0300nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50093264(CHEMBL130214 | N-(8-Methoxy-acenaphthen-1-ylmethyl...)
Show SMILES CCCC(=O)NCC1Cc2cccc3ccc(OC)c1c23
Show InChI InChI=1S/C18H21NO2/c1-3-5-16(20)19-11-14-10-13-7-4-6-12-8-9-15(21-2)18(14)17(12)13/h4,6-9,14H,3,5,10-11H2,1-2H3,(H,19,20)
Affinity DataKi:  0.0300nMAssay Description:Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50125758(CHEMBL14417 | N-[2-(7-{10-[8-(2-Acetylamino-ethyl)...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C38H48N2O4/c1-29(41)39-23-21-33-15-11-13-31-17-19-35(27-37(31)33)43-25-9-7-5-3-4-6-8-10-26-44-36-20-18-32-14-12-16-34(38(32)28-36)22-24-40-30(2)42/h11-20,27-28H,3-10,21-26H2,1-2H3,(H,39,41)(H,40,42)
Affinity DataKi:  0.0300nMAssay Description:Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50117886(CHEMBL3612603)
Show SMILES CCC(=O)NCC1CCc2c(OC)cccc2N1C
Show InChI InChI=1S/C15H22N2O2/c1-4-15(18)16-10-11-8-9-12-13(17(11)2)6-5-7-14(12)19-3/h5-7,11H,4,8-10H2,1-3H3,(H,16,18)
Affinity DataKi:  0.0300nMAssay Description:Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50425203(CHEMBL2314255)
Show SMILES COc1ccc2cccc(\C=C\NC(C)=O)c2c1
Show InChI InChI=1S/C15H15NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-10H,1-2H3,(H,16,17)/b9-8+
Affinity DataKi:  0.0300nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50093264(CHEMBL130214 | N-(8-Methoxy-acenaphthen-1-ylmethyl...)
Show SMILES CCCC(=O)NCC1Cc2cccc3ccc(OC)c1c23
Show InChI InChI=1S/C18H21NO2/c1-3-5-16(20)19-11-14-10-13-7-4-6-12-8-9-15(21-2)18(14)17(12)13/h4,6-9,14H,3,5,10-11H2,1-2H3,(H,19,20)
Affinity DataKi:  0.0340nMAssay Description:Binding affinity for melatonin receptor type 1B, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50352003(CHEMBL1823015)
Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2n1)-c1ccccc1
Show InChI InChI=1S/C18H19N3O2/c1-12(22)19-11-10-14-17(13-6-4-3-5-7-13)20-15-8-9-16(23-2)21-18(14)15/h3-9,20H,10-11H2,1-2H3,(H,19,22)
Affinity DataKi:  0.0400nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in human HEK293 cells by radioligand binding assayMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50139843(CHEMBL3765540)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccccc1
Show InChI InChI=1S/C18H18N2O3/c1-12(21)19-11-10-14-17-15(8-9-16(20-17)22-2)23-18(14)13-6-4-3-5-7-13/h3-9H,10-11H2,1-2H3,(H,19,21)
Affinity DataKi:  0.0400nMAssay Description:Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assayMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50125758(CHEMBL14417 | N-[2-(7-{10-[8-(2-Acetylamino-ethyl)...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C38H48N2O4/c1-29(41)39-23-21-33-15-11-13-31-17-19-35(27-37(31)33)43-25-9-7-5-3-4-6-8-10-26-44-36-20-18-32-14-12-16-34(38(32)28-36)22-24-40-30(2)42/h11-20,27-28H,3-10,21-26H2,1-2H3,(H,39,41)(H,40,42)
Affinity DataKi:  0.0400nMAssay Description:Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50425203(CHEMBL2314255)
Show SMILES COc1ccc2cccc(\C=C\NC(C)=O)c2c1
Show InChI InChI=1S/C15H15NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-10H,1-2H3,(H,16,17)/b9-8+
Affinity DataKi:  0.0400nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50114732(1-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-3...)
Show SMILES CNC(=O)NCCc1c(oc2ccc(OC)cc12)-c1ccccc1
Show InChI InChI=1S/C19H20N2O3/c1-20-19(22)21-11-10-15-16-12-14(23-2)8-9-17(16)24-18(15)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.0400nMAssay Description:Binding affinity on human melatonin receptor type 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50114732(1-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-3...)
Show SMILES CNC(=O)NCCc1c(oc2ccc(OC)cc12)-c1ccccc1
Show InChI InChI=1S/C19H20N2O3/c1-20-19(22)21-11-10-15-16-12-14(23-2)8-9-17(16)24-18(15)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,20,21,22)
Affinity DataKi:  0.0400nMAssay Description:Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50112200(CHEMBL300056 | N-(2-(2-iodo-5-methoxy-1-methyl-1H-...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H17IN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)
Affinity DataKi:  0.0470nMAssay Description:Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50125752(CHEMBL14136 | N-[2-(7-{8-[8-(2-Acetylamino-ethyl)-...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C36H44N2O4/c1-27(39)37-21-19-31-13-9-11-29-15-17-33(25-35(29)31)41-23-7-5-3-4-6-8-24-42-34-18-16-30-12-10-14-32(36(30)26-34)20-22-38-28(2)40/h9-18,25-26H,3-8,19-24H2,1-2H3,(H,37,39)(H,38,40)
Affinity DataKi:  0.0500nMAssay Description:Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1C(Gallus gallus)
CNRS-BIOCIS

Curated by ChEMBL
LigandPNGBDBM50470184(CHEMBL304203)
Show SMILES COc1ccc2ccc(OC)c(CCNC(=O)C3CC3)c2c1
Show InChI InChI=1S/C18H21NO3/c1-21-14-7-5-12-6-8-17(22-2)15(16(12)11-14)9-10-19-18(20)13-3-4-13/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,19,20)
Affinity DataKi:  0.0500nMAssay Description:Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranesMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50125755(CHEMBL273787 | N-[2-(7-{5-[8-(2-Acetylamino-ethyl)...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C33H38N2O4/c1-24(36)34-18-16-28-10-6-8-26-12-14-30(22-32(26)28)38-20-4-3-5-21-39-31-15-13-27-9-7-11-29(33(27)23-31)17-19-35-25(2)37/h6-15,22-23H,3-5,16-21H2,1-2H3,(H,34,36)(H,35,37)
Affinity DataKi:  0.0500nMAssay Description:Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50114716(CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...)
Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C20H21NO3/c1-14(22)21-11-10-17-18-13-16(23-2)8-9-19(18)24-20(17)12-15-6-4-3-5-7-15/h3-9,13H,10-12H2,1-2H3,(H,21,22)
Affinity DataKi:  0.0500nMAssay Description:Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50093272(CHEMBL129890 | N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-...)
Show SMILES CCCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23
Show InChI InChI=1S/C21H27NO3/c1-4-5-19(23)22-13-12-15-6-9-16-17(24-2)10-7-14-8-11-18(25-3)21(15)20(14)16/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H,22,23)
Affinity DataKi:  0.0570nMAssay Description:Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50425200(CHEMBL2314253)
Show SMILES COc1ccc2ccc(OC)c([C@@H]3C[C@H]3NC(C)=O)c2c1
Show InChI InChI=1S/C17H19NO3/c1-10(19)18-15-9-14(15)17-13-8-12(20-2)6-4-11(13)5-7-16(17)21-3/h4-8,14-15H,9H2,1-3H3,(H,18,19)/t14-,15-/m1/s1
Affinity DataKi:  0.0600nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
Affinity DataKi:  0.0600nMAssay Description:Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50114707(But-3-enoic acid [2-(2-benzyl-5-methoxy-benzofuran...)
Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)CC=C)c2c1
Show InChI InChI=1S/C22H23NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h3-6,8-11,15H,1,7,12-14H2,2H3,(H,23,24)
Affinity DataKi:  0.0600nMAssay Description:Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50035179(Agomelatine | CHEMBL10878 | N-[2-(7-Methoxy-naphth...)
Show SMILES COc1ccc2cccc(CCNC(C)=O)c2c1
Show InChI InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)
Affinity DataKi:  0.0600nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50093266(CHEMBL131424 | N-(4-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES CCCC(=O)NCC1CCc2c(OC)ccc3cccc1c23
Show InChI InChI=1S/C19H23NO2/c1-3-5-18(21)20-12-14-8-10-16-17(22-2)11-9-13-6-4-7-15(14)19(13)16/h4,6-7,9,11,14H,3,5,8,10,12H2,1-2H3,(H,20,21)
Affinity DataKi:  0.0680nMAssay Description:Binding affinity for melatonin receptor type 1B, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50093262(CHEMBL131252 | N-(9-Methoxy-2,3-dihydro-1H-phenale...)
Show SMILES CCCC(=O)NCC1CCc2cccc3ccc(OC)c1c23
Show InChI InChI=1S/C19H23NO2/c1-3-5-17(21)20-12-15-9-8-13-6-4-7-14-10-11-16(22-2)19(15)18(13)14/h4,6-7,10-11,15H,3,5,8-9,12H2,1-2H3,(H,20,21)
Affinity DataKi:  0.0690nMAssay Description:Binding affinity for melatonin receptor type 1B, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50425202(CHEMBL2314259)
Show SMILES COc1ccc2ccc(OC)c(\C=C\NC(C)=O)c2c1
Show InChI InChI=1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+
Affinity DataKi:  0.0700nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50093289(CHEMBL337024 | N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-...)
Show SMILES CCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23
Show InChI InChI=1S/C20H25NO3/c1-4-18(22)21-12-11-14-5-8-15-16(23-2)9-6-13-7-10-17(24-3)20(14)19(13)15/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3,(H,21,22)
Affinity DataKi:  0.0700nMAssay Description:Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetMelatonin receptor type 1C(Gallus gallus)
CNRS-BIOCIS

Curated by ChEMBL
LigandPNGBDBM50035202(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)
Affinity DataKi:  0.0700nMAssay Description:Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranesMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50464402(CHEMBL4279639)
Show SMILES CNC(=O)NCC1CCc2ccc3ccc(OC)cc3c12
Show InChI InChI=1S/C17H20N2O2/c1-18-17(20)19-10-13-6-5-12-4-3-11-7-8-14(21-2)9-15(11)16(12)13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,18,19,20)
Affinity DataKi:  0.0700nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins by filter binding methodMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50316694(CHEMBL1095196 | N-[2-(7-{4-[8-(Methoxycarbonylmeth...)
Show SMILES COC(=O)Cc1cccc2ccc(OCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C31H33NO5/c1-22(33)32-16-15-25-9-5-7-23-11-13-27(20-29(23)25)36-17-3-4-18-37-28-14-12-24-8-6-10-26(30(24)21-28)19-31(34)35-2/h5-14,20-21H,3-4,15-19H2,1-2H3,(H,32,33)
Affinity DataKi:  0.0700nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50139842(CHEMBL3765401)
Show SMILES COc1ccc2oc(I)c(CCNC(C)=O)c2n1
Show InChI InChI=1S/C12H13IN2O3/c1-7(16)14-6-5-8-11-9(18-12(8)13)3-4-10(15-11)17-2/h3-4H,5-6H2,1-2H3,(H,14,16)
Affinity DataKi:  0.0800nMAssay Description:Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assayMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50112200(CHEMBL300056 | N-(2-(2-iodo-5-methoxy-1-methyl-1H-...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H17IN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)
Affinity DataKi:  0.0800nMAssay Description:Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Paris-Sud University

Curated by ChEMBL
LigandPNGBDBM50125753(CHEMBL13985 | N-[2-(7-{6-[8-(2-Acetylamino-ethyl)-...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12
Show InChI InChI=1S/C34H40N2O4/c1-25(37)35-19-17-29-11-7-9-27-13-15-31(23-33(27)29)39-21-5-3-4-6-22-40-32-16-14-28-10-8-12-30(34(28)24-32)18-20-36-26(2)38/h7-16,23-24H,3-6,17-22H2,1-2H3,(H,35,37)(H,36,38)
Affinity DataKi:  0.0800nMAssay Description:Binding affinity for human Melatonin receptor type 1A stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50093273(CHEMBL130542 | N-(8-Methoxy-acenaphthen-1-ylmethyl...)
Show SMILES CCC(=O)NCC1Cc2cccc3ccc(OC)c1c23
Show InChI InChI=1S/C17H19NO2/c1-3-15(19)18-10-13-9-12-6-4-5-11-7-8-14(20-2)17(13)16(11)12/h4-8,13H,3,9-10H2,1-2H3,(H,18,19)
Affinity DataKi:  0.0850nMAssay Description:Binding affinity for melatonin receptor type 1B, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)More data for this Ligand-Target Pair
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50112200(CHEMBL300056 | N-(2-(2-iodo-5-methoxy-1-methyl-1H-...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C14H17IN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)
Affinity DataKi:  0.0880nMAssay Description:Inhibition of 2-[125I]iodomelatonin binding to Melatonin receptor 3 (MT3) of Syrian hamster brain membraneMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50425201(CHEMBL2314257)
Show SMILES COc1ccc2ccccc2c1\C=C\NC(C)=O
Show InChI InChI=1S/C15H15NO2/c1-11(17)16-10-9-14-13-6-4-3-5-12(13)7-8-15(14)18-2/h3-10H,1-2H3,(H,16,17)/b10-9+
Affinity DataKi:  0.0900nMAssay Description:Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma countingMore data for this Ligand-Target Pair
Displayed 1 to 50 (of 1674 total ) | Next | Last >>
Jump to: