Compile Data Set for Download or QSAR
Found 2361 with Last Name = 'caignard' and Initial = 'dh'
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

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 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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))
Universit£ d'Orl£ans

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))
Universit£ degli Studi di Urbino"Carlo Bo"

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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

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
Target5-hydroxytryptamine receptor 4(Homo sapiens (Human))
Universit£ de Caen Basse-Normandie

Curated by ChEMBL
LigandPNGBDBM50399614(CHEMBL2181170)
Show SMILES CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
Show InChI InChI=1S/C21H24FN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3
Affinity DataKi:  0.0398nMAssay Description:Displacement of radioligand from human 5HT4R by Cerep protocol based assayMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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))
Universit£ degli Studi di Urbino"Carlo Bo"

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
Target5-hydroxytryptamine receptor 4(Homo sapiens (Human))
Universit£ de Caen Basse-Normandie

Curated by ChEMBL
LigandPNGBDBM50399614(CHEMBL2181170)
Show SMILES CCCN1CCC(COc2nc3c(F)cccc3c3ncccc23)CC1
Show InChI InChI=1S/C21H24FN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3
Affinity DataKi:  0.0400nMAssay Description:Displacement of radioligand from human 5HT4R by Cerep protocol based assayMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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
TargetD(2) dopamine receptor(Rattus norvegicus (rat))
TBA

Curated by ChEMBL
LigandPNGBDBM50290513(1-{2-[4-(4-Fluoro-benzoyl)-piperidin-1-yl]-ethyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2ccc3N(CCN4CCC(CC4)C(=O)c4ccc(F)cc4)C(=O)OCc3c2)CC1
Show InChI InChI=1S/C37H45FN4O4/c1-45-35-8-3-2-7-34(35)41-23-20-39(21-24-41)17-5-4-6-28-9-14-33-31(26-28)27-46-37(44)42(33)25-22-40-18-15-30(16-19-40)36(43)29-10-12-32(38)13-11-29/h2-3,7-14,26,30H,4-6,15-25,27H2,1H3
Affinity DataKi:  0.0600nMAssay Description:Binding affinity against D2 receptor in rat striatum using [3H]-RacloprideMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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))
Universit£ degli Studi di Urbino"Carlo Bo"

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))
Universit£ d'Orl£ans

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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50139847(CHEMBL3764765)
Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C22H20N2O3/c1-14(25)23-12-11-18-21-19(9-10-20(24-21)26-2)27-22(18)17-8-7-15-5-3-4-6-16(15)13-17/h3-10,13H,11-12H2,1-2H3,(H,23,25)
Affinity DataKi:  0.0900nMAssay 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))
Universit£ degli Studi di Urbino"Carlo Bo"

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))
Universit£ d'Orl£ans

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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50230961(CHEMBL4062947)
Show SMILES CCNC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C15H19N3O2/c1-3-16-15(19)17-10-9-12-6-4-5-11-7-8-13(20-2)18-14(11)12/h4-8H,3,9-10H2,1-2H3,(H2,16,17,19)
Affinity DataKi:  0.0900nMAssay 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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50144221(CHEMBL3759802)
Show SMILES COc1ccc2ccc3occ(CCNC(C)=O)c3c2c1
Show InChI InChI=1S/C17H17NO3/c1-11(19)18-8-7-13-10-21-16-6-4-12-3-5-14(20-2)9-15(12)17(13)16/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
Affinity DataKi:  0.0900nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50230959(CHEMBL4084612)
Show SMILES CNC(=O)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H17N3O2/c1-15-14(18)16-9-8-11-5-3-4-10-6-7-12(19-2)17-13(10)11/h3-7H,8-9H2,1-2H3,(H2,15,16,18)
Affinity DataKi:  0.0900nMAssay 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))
Universit£ degli Studi di Urbino"Carlo Bo"

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:  0.0910nMAssay Description:Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

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 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50464405(CHEMBL4281915)
Show SMILES CNC(=S)NCC1CCc2ccc3ccc(OC)cc3c12
Show InChI InChI=1S/C17H20N2OS/c1-18-17(21)19-10-13-6-5-12-4-3-11-7-8-14(20-2)9-15(11)16(12)13/h3-4,7-9,13H,5-6,10H2,1-2H3,(H2,18,19,21)
Affinity DataKi:  0.100nMAssay 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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50464407(CHEMBL4292336)
Show SMILES COCC(=O)NCC1CCc2ccc3ccc(OC)cc3c12
Show InChI InChI=1S/C18H21NO3/c1-21-11-17(20)19-10-14-6-5-13-4-3-12-7-8-15(22-2)9-16(12)18(13)14/h3-4,7-9,14H,5-6,10-11H2,1-2H3,(H,19,20)
Affinity DataKi:  0.100nMAssay 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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50464406(CHEMBL4280601)
Show SMILES COc1ccc2ccc3CCC(CNS(C)(=O)=O)c3c2c1
Show InChI InChI=1S/C16H19NO3S/c1-20-14-8-7-11-3-4-12-5-6-13(10-17-21(2,18)19)16(12)15(11)9-14/h3-4,7-9,13,17H,5-6,10H2,1-2H3
Affinity DataKi:  0.100nMAssay 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))
Universit£ degli Studi di Urbino"Carlo Bo"

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 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

Curated by ChEMBL
LigandPNGBDBM50464412(CHEMBL4278248)
Show SMILES COc1ccc2ccc3CCC(C)(CNC(C)=O)c3c2c1
Show InChI InChI=1S/C18H21NO2/c1-12(20)19-11-18(2)9-8-14-5-4-13-6-7-15(21-3)10-16(13)17(14)18/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)
Affinity DataKi:  0.100nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50464412(CHEMBL4278248)
Show SMILES COc1ccc2ccc3CCC(C)(CNC(C)=O)c3c2c1
Show InChI InChI=1S/C18H21NO2/c1-12(20)19-11-18(2)9-8-14-5-4-13-6-7-15(21-3)10-16(13)17(14)18/h4-7,10H,8-9,11H2,1-3H3,(H,19,20)
Affinity DataKi:  0.100nMAssay 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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50464415(CHEMBL4278575)
Show SMILES COc1ccc2ccc3CCC(CNC(N)=O)c3c2c1
Show InChI InChI=1S/C16H18N2O2/c1-20-13-7-6-10-2-3-11-4-5-12(9-18-16(17)19)15(11)14(10)8-13/h2-3,6-8,12H,4-5,9H2,1H3,(H3,17,18,19)
Affinity DataKi:  0.100nMAssay 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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50464420(CHEMBL4290302)
Show SMILES CCNC(=O)NCC1CCc2ccc3ccc(OC)cc3c12
Show InChI InChI=1S/C18H22N2O2/c1-3-19-18(21)20-11-14-7-6-13-5-4-12-8-9-15(22-2)10-16(12)17(13)14/h4-5,8-10,14H,3,6-7,11H2,1-2H3,(H2,19,20,21)
Affinity DataKi:  0.100nMAssay 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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50230951(CHEMBL4095210)
Show SMILES CNC(=S)NCCc1cccc2ccc(OC)nc12
Show InChI InChI=1S/C14H17N3OS/c1-15-14(19)16-9-8-11-5-3-4-10-6-7-12(18-2)17-13(10)11/h3-7H,8-9H2,1-2H3,(H2,15,16,19)
Affinity DataKi:  0.100nMAssay 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))
Universit£ degli Studi di Urbino"Carlo Bo"

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 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins by filter binding methodMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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:  0.120nMAssay Description:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK or CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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:  0.120nMAssay Description:Displacement of 2-[125l]-lodomelatonin from human MT1 expressed in CHO cells incubated for 120 mins by radioligand binding assayMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

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:  0.140nMAssay 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/1B(Homo sapiens (Human))
Universidad de Valencia

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 [125L]iodomelatonin from human MT1 receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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 stably transfected in HEK293 cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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))
Universit£ degli Studi di Urbino"Carlo Bo"

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:Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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: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))
Universit£ d'Orl£ans

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:  0.150nMAssay Description:Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 minsMore data for this Ligand-Target Pair
TargetMelatonin receptor type 1A(Homo sapiens (Human))
Universit£ degli Studi di Urbino"Carlo Bo"

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:  0.200nMAssay 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))
Universit£ d'Orl£ans

Curated by ChEMBL
LigandPNGBDBM50230958(CHEMBL4071572)
Show SMILES COc1ccc2cccc(CCNC(N)=O)c2n1
Show InChI InChI=1S/C13H15N3O2/c1-18-11-6-5-9-3-2-4-10(12(9)16-11)7-8-15-13(14)17/h2-6H,7-8H2,1H3,(H3,14,15,17)
Affinity DataKi:  0.200nMAssay 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 1B(Homo sapiens (Human))
Universit£ d'Orl£ans

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:  0.200nMAssay 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
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