Compile Data Set for Download or QSAR
Found 2313 with Last Name = 'renard' and Initial = 'p'
TargetMelatonin receptor type 1A(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:  0.0100nMAssay 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))
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:  0.0100nMAssay 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 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))
Institut de Chimie Pharmaceutique Albert Lespagnol

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))
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:  0.0200nMAssay 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 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 1A(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:  0.0300nMAssay 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))
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:  0.0300nMAssay 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 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 1A(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 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
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))
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:  0.0400nMAssay 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 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))
Institut de Chimie Pharmaceutique Albert Lespagnol

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 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))
Institut de Chimie Pharmaceutique Albert Lespagnol

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 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))
Institut de Chimie Pharmaceutique Albert Lespagnol

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 1A(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

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 1A(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

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))
Institut de Chimie Pharmaceutique Albert Lespagnol

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
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 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 1A(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:  0.0800nMAssay 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))
Institut de Chimie Pharmaceutique Albert Lespagnol

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
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 1A(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50316692(CHEMBL1094212 | N-[2-(7-{4-(4'-Hydroxymethylbiphen...)
Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCOc3ccc(cc3)-c3ccc(CO)cc3)cc12
Show InChI InChI=1S/C31H33NO4/c1-23(34)32-18-17-28-6-4-5-27-13-16-30(21-31(27)28)36-20-3-2-19-35-29-14-11-26(12-15-29)25-9-7-24(22-33)8-10-25/h4-16,21,33H,2-3,17-20,22H2,1H3,(H,32,34)
Affinity DataKi:  0.0900nMAssay 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
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
TargetMelatonin receptor type 1C(Gallus gallus)
CNRS-BIOCIS

Curated by ChEMBL
LigandPNGBDBM50470187(CHEMBL428882)
Show SMILES COc1ccc2ccc(OC)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C16H19NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-7,10H,8-9H2,1-3H3,(H,17,18)
Affinity DataKi:  0.100nMAssay Description:Inhibition of 2-[125I]- iodomelatonin from chicken brain melatonin receptorsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelatonin receptor type 1C(Gallus gallus)
CNRS-BIOCIS

Curated by ChEMBL
LigandPNGBDBM50470187(CHEMBL428882)
Show SMILES COc1ccc2ccc(OC)c(CCNC(C)=O)c2c1
Show InChI InChI=1S/C16H19NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-7,10H,8-9H2,1-3H3,(H,17,18)
Affinity DataKi:  0.100nMAssay 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))
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:  0.100nMAssay 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))
Institut de Chimie Pharmaceutique Albert Lespagnol

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:  0.100nMAssay 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 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

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:  0.100nMAssay 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
LigandPNGBDBM50114701(But-3-enoic acid {2-[5-methoxy-2-(3-methoxy-benzyl...)
Show SMILES COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(=O)CC=C)c1
Show InChI InChI=1S/C23H25NO4/c1-4-6-23(25)24-12-11-19-20-15-18(27-3)9-10-21(20)28-22(19)14-16-7-5-8-17(13-16)26-2/h4-5,7-10,13,15H,1,6,11-12,14H2,2-3H3,(H,24,25)
Affinity DataKi:  0.110nMAssay 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))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM9019(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)
Affinity DataKi:  0.120nMAssay 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))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM9019(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)
Affinity DataKi:  0.120nMAssay Description:Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1A expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50112208(CHEMBL300728 | N-(2-(2-iodo-5-methoxy-1-methyl-4-n...)
Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O
Show InChI InChI=1S/C14H16IN3O4/c1-8(19)16-7-6-9-12-10(17(2)14(9)15)4-5-11(22-3)13(12)18(20)21/h4-5H,6-7H2,1-3H3,(H,16,19)
Affinity DataKi:  0.130nMAssay 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 1A(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM9019(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)
Affinity DataKi:  0.140nMAssay 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))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM9019(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)
Affinity DataKi:  0.140nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50037242(CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...)
Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1
Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)
Affinity DataKi:  0.150nMAssay 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
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:  0.160nMAssay 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 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50112204(CHEMBL52755 | N-[2-(2-Iodo-5-methoxy-6-nitro-1H-in...)
Show SMILES COc1cc2c(CCNC(C)=O)c(I)[nH]c2cc1[N+]([O-])=O
Show InChI InChI=1S/C13H14IN3O4/c1-7(18)15-4-3-8-9-5-12(21-2)11(17(19)20)6-10(9)16-13(8)14/h5-6,16H,3-4H2,1-2H3,(H,15,18)
Affinity DataKi:  0.170nMAssay 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 1C(Gallus gallus)
CNRS-BIOCIS

Curated by ChEMBL
LigandPNGBDBM50470172(CHEMBL294517)
Show SMILES CCC(=O)NCCc1c(OC)ccc2ccccc12
Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-11-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9H,3,10-11H2,1-2H3,(H,17,18)
Affinity DataKi:  0.176nMAssay Description:Effect of compound on Melatonin receptor in chicken brain in the presence of MnCl2More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetMelatonin receptor type 1C(Gallus gallus)
CNRS-BIOCIS

Curated by ChEMBL
LigandPNGBDBM9019(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)
Affinity DataKi:  0.176nMAssay Description:Effect of compound on Melatonin receptor in chicken brain in the presence of MnCl2More data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

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:  0.180nMAssay 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
TargetRibosyldihydronicotinamide dehydrogenase [quinone](Homo sapiens (Human))
Institut de Chimie Pharmaceutique Albert Lespagnol

Curated by ChEMBL
LigandPNGBDBM50112203(CHEMBL52559 | N-(2-(2-iodo-5-methoxy-4-nitro-1H-in...)
Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1[N+]([O-])=O
Show InChI InChI=1S/C13H14IN3O4/c1-7(18)15-6-5-8-11-9(16-13(8)14)3-4-10(21-2)12(11)17(19)20/h3-4,16H,5-6H2,1-2H3,(H,15,18)
Affinity DataKi:  0.180nMAssay 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
LigandPNGBDBM50114712(CHEMBL96859 | N-[2-(2-Benzyl-5-methoxy-benzofuran-...)
Show SMILES CCCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12
Show InChI InChI=1S/C22H25NO3/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/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,23,24)
Affinity DataKi:  0.200nMAssay 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
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