target,target_id,target_uniprot,target_species,ligand,ligand_id,ligand_species,ligand_pubchem_cid,smiles,inchi,inchikey,type,action,action_comment,endogenous,primary_target,concentration_range,affinity_parameter,affinity_high,affinity_median,affinity_low,original_affinity_units,original_affinity_low_nm,original_affinity_median_nm,original_affinity_high_nm,original_affinity_relation,assay_description,receptor_site,ligand_context,pubmed_id MT1 receptor,287,P48039,Human,agomelatine,198,,82148,COc1ccc2c(c1)c(CCNC(=O)C)ccc2,"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)",YJYPHIXNFHFHND-UHFFFAOYSA-N,Agonist,Full agonist,,,yes,,pKi,10.4,,10.0,,,,,=,,,,12764576|9618428, MT1 receptor,287,P48039,Human,melatonin,224,,896,COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,"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)",DRLFMBDRBRZALE-UHFFFAOYSA-N,Agonist,Full agonist,,yes,yes,,pKi,9.7,,9.1,,,,,=,,,,12764576|9089668|2991499, MT1 receptor,287,P48039,Human,2-iodo-melatonin,1343,,115348,COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)I,"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)",FJDDSMSDZHURBJ-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKi,11.0,,10.2,,,,,=,,,,12764576|2991499, MT1 receptor,287,P48039,Human,2-[125I]melatonin,1344,,644212,COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)[125I],"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)/i14-2",FJDDSMSDZHURBJ-XSBOKVBDSA-N,Agonist,Full agonist,,,,,pKd,10.7,,9.9,Kd,0.119,,0.0213,=,,,,12764576|9089668, MT1 receptor,287,P48039,Human,5-HEAT,1345,,10849065,OCCOc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,"InChI=1S/C14H18N2O3/c1-10(18)15-5-4-11-9-16-14-3-2-12(8-13(11)14)19-7-6-17/h2-3,8-9,16-17H,4-7H2,1H3,(H,15,18)",CZPLTTWZQPLXMQ-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKi,,7.8,,,,,,,,,,11068946, MT1 receptor,287,P48039,Human,6-Cl-MLT,1346,,1858,COc1cc2c(CCNC(=O)C)c[nH]c2cc1Cl,"InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)",LUINDDOUWHRIPW-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKi,9.2,,7.9,,,,,=,,,,12764576|9089668|9618428|2991499, MT1 receptor,287,P48039,Human,6-hydroxymelatonin,1347,,1864,COc1cc2c(CCNC(=O)C)c[nH]c2cc1O,"InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)",OMYMRCXOJJZYKE-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKi,9.2,,8.9,,,,,=,,,,10696085|9089668|9618428|2991499, MT1 receptor,287,P48039,Human,GR 128107,1348,,44208891,COc1ccc2c(c1)c(c[nH]2)C1CCCN(C1)C(=O)C,"InChI=1S/C16H20N2O2/c1-11(19)18-7-3-4-12(10-18)15-9-17-16-6-5-13(20-2)8-14(15)16/h5-6,8-9,12,17H,3-4,7,10H2,1-2H3",RBINAFTXZHPTNU-UHFFFAOYSA-N,Agonist,Partial agonist,,,,,pKi,,6.9,,,,,,,,,,9089668|10205014, MT1 receptor,287,P48039,Human,GR 196429,1349,,5311134,CC(=O)NCCN1CCc2c1c1CCOc1cc2,"InChI=1S/C14H18N2O2/c1-10(17)15-6-8-16-7-4-11-2-3-13-12(14(11)16)5-9-18-13/h2-3H,4-9H2,1H3,(H,15,17)",LTYWTNUOUBBVNZ-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKi,9.9,,9.4,,,,,,,,,10696085|9618428, MT1 receptor,287,P48039,Human,IIK7,1350,,4172142,CCCC(=O)NCCc1c2c3ccccc3Cn2c2c1cc(OC)cc2,"InChI=1S/C22H24N2O2/c1-3-6-21(25)23-12-11-18-19-13-16(26-2)9-10-20(19)24-14-15-7-4-5-8-17(15)22(18)24/h4-5,7-10,13H,3,6,11-12,14H2,1-2H3,(H,23,25)",RQYIUGOJQFWLAZ-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKi,,8.3,,,,,,,,,,10737738, MT1 receptor,287,P48039,Human,LY 156735,1351,,219018,COc1cc2c(cc1Cl)[nH]cc2[C@H](CNC(=O)C)C,"InChI=1S/C14H17ClN2O2/c1-8(6-16-9(2)18)11-7-17-13-5-12(15)14(19-3)4-10(11)13/h4-5,7-8,17H,6H2,1-3H3,(H,16,18)/t8-/m0/s1",RKHCTAKUYDTFHE-QMMMGPOBSA-N,Agonist,Full agonist,,,,,pKi,,10.1,,,,,,,,,,15302228, MT1 receptor,287,P48039,Human,S24014,1353,,9998187,COc1cccc(c1)Cc1oc2c(c1CCNC(=O)C)cc(cc2)OC,"InChI=1S/C21H23NO4/c1-14(23)22-10-9-18-19-13-17(25-3)7-8-20(19)26-21(18)12-15-5-4-6-16(11-15)24-2/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,23)",GNWDMICUDNQPEK-UHFFFAOYSA-N,Agonist,Partial agonist,,,,,pKi,,7.5,,,,,,,,,,12764576, MT1 receptor,287,P48039,Human,S24773,1354,,22133318,COc1ccc2c(c1)c(CCNC(=O)C)cc(c2)c1cccc(c1)N,"InChI=1S/C21H22N2O2/c1-14(24)23-9-8-17-11-18(15-4-3-5-19(22)12-15)10-16-6-7-20(25-2)13-21(16)17/h3-7,10-13H,8-9,22H2,1-2H3,(H,23,24)",RUYDBTKHRKQOLY-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKi,,7.1,,,,,,,,,,12764576, MT1 receptor,287,P48039,Human,S26284,1355,,9806449,CC(=O)NCCc1cccc2c1cc(OCCCCOc1ccc3c(c1)c(CCNC(=O)C)ccc3)cc2,"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)",AGGOYESCDGTCOY-UHFFFAOYSA-N,Agonist,Partial agonist,,,,,pKi,9.2,,8.5,,,,,,,,,12764576, MT1 receptor,287,P48039,Human,ramelteon,1356,,208902,CCC(=O)NCC[C@@H]1CCc2c1c1CCOc1cc2,"InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1",YLXDSYKOBKBWJQ-LBPRGKRZSA-N,Agonist,Full agonist,,,yes,,pKi,,10.9,,,,,,=,,,,15695169, MT1 receptor,287,P48039,Human,[3H]melatonin,1357,,896,COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2,"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)",DRLFMBDRBRZALE-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKd,9.9,,9.4,Kd,0.4,,0.13,=,,,,10696085, MT1 receptor,287,P48039,Human,4P-PDOT,1358,,3976006,CCC(=O)NC1Cc2ccccc2C(C1)c1ccccc1,"InChI=1S/C19H21NO/c1-2-19(21)20-16-12-15-10-6-7-11-17(15)18(13-16)14-8-4-3-5-9-14/h3-11,16,18H,2,12-13H2,1H3,(H,20,21)",RCYLUNPFECYGDW-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pKi,7.2,,6.2,,,,,,,,,12764576|9089668|9737724, MT1 receptor,287,P48039,Human,K185,1359,,5311198,CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2,"InChI=1S/C24H28N2O2/c1-3-7-23(27)25-14-13-20-21-16-18(28-2)11-12-22(21)26-15-6-9-17-8-4-5-10-19(17)24(20)26/h4-5,8,10-12,16H,3,6-7,9,13-15H2,1-2H3,(H,25,27)",SPIFQXPRSJKRAO-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pKi,,7.2,,,,,,,,,,10737738, MT1 receptor,287,P48039,Human,S20928,1360,,127856,O=C(C1CCC1)NCCc1cccc2c1cccc2,"InChI=1S/C17H19NO/c19-17(15-8-4-9-15)18-12-11-14-7-3-6-13-5-1-2-10-16(13)14/h1-3,5-7,10,15H,4,8-9,11-12H2,(H,18,19)",GLXSBZGTGMPDKH-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pKi,6.9,,6.4,,,,,,,,,12764576, MT1 receptor,287,P48039,Human,S22153,1361,,9816339,CCc1ccc2c(c1)c(CCNC(=O)C)cs2,"InChI=1S/C14H17NOS/c1-3-11-4-5-14-13(8-11)12(9-17-14)6-7-15-10(2)16/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,16)",PICRXJDULXLJCZ-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pKi,8.1,,7.8,,,,,,,,,12764576, MT1 receptor,287,P48039,Human,S26131,1362,,9870523,CC(=O)NCCc1cccc2c1cc(OCCCOc1ccc3c(c1)c(CCNC(=O)C)ccc3)cc2,"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)",NSXBZYDTTKLTOH-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pKi,9.3,,8.4,,,,,,,,,12764576, MT1 receptor,287,P48039,Human,luzindole,1363,,122162,CC(=O)NCCc1c(Cc2ccccc2)[nH]c2c1cccc2,"InChI=1S/C19H20N2O/c1-14(22)20-12-11-17-16-9-5-6-10-18(16)21-19(17)13-15-7-3-2-4-8-15/h2-10,21H,11-13H2,1H3,(H,20,22)",WVVXBPKOIZGVNS-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pKi,6.8,,6.2,,,,,=,,,,10696085|12764576|9089668|2843633, MT1 receptor,287,P48039,Human,tasimelteon,7393,,10220503,CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2,"InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1",PTOIAAWZLUQTIO-GXFFZTMASA-N,Agonist,Full agonist,,,yes,,pKi,,9.5,,Ki,,0.304,,=,,,,19054552, MT1 receptor,287,P48039,Human,AZD7325,7712,,23581869,CCCNC(=O)c1nnc2c(c1N)cccc2c1c(F)cccc1OC,"InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)",KYDURMHFWXCKMW-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pIC50,,6.9,,IC50,,126.0,,=,,,,, MT1 receptor,287,P48039,Human,[125I]SD6,7770,,86277836,COc1cc2c(CCNC(=O)C[125I])c[nH]c2cc1,"InChI=1S/C13H15IN2O2/c1-18-10-2-3-12-11(6-10)9(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)/i14-2",BCFPPJOYYKSYLA-XSBOKVBDSA-N,Agonist,Full agonist,,,,,pKd,,10.96,,Kd,,0.011,,=,,,,23698757|26759496, MT1 receptor,287,P48039,Human,[125I]SD6,7770,,86277836,COc1cc2c(CCNC(=O)C[125I])c[nH]c2cc1,"InChI=1S/C13H15IN2O2/c1-18-10-2-3-12-11(6-10)9(8-16-12)4-5-15-13(17)7-14/h2-3,6,8,16H,4-5,7H2,1H3,(H,15,17)/i14-2",BCFPPJOYYKSYLA-XSBOKVBDSA-N,Agonist,Full agonist,,,,,pKd,,10.9,,Kd,,0.014,,=,,,,23698757, MT1 receptor,287,P48039,Human,UCM 549,7772,,11185529,COc1ccc2c(c1)C(CNC(=O)C)Cc1c(C2)cccc1,"InChI=1S/C19H21NO2/c1-13(21)20-12-17-10-15-6-4-3-5-14(15)9-16-7-8-18(22-2)11-19(16)17/h3-8,11,17H,9-10,12H2,1-2H3,(H,20,21)",PQZZGTZTKGECDT-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pKi,8.2,,7.6,,,,,=,,,,15293992|17907131, MT1 receptor,287,P48039,Human,UCM 724,7773,,86277838,COc1ccc2c(c1)C(CNC(=O)N)Cc1c(C2)cccc1,"InChI=1S/C18H20N2O2/c1-22-16-7-6-14-8-12-4-2-3-5-13(12)9-15(17(14)10-16)11-20-18(19)21/h2-7,10,15H,8-9,11H2,1H3,(H3,19,20,21)",DIXNMQKCFFPTKU-UHFFFAOYSA-N,Antagonist,Antagonist,,,,,pKi,,6.9,,,,,,=,,,,17907131, MT1 receptor,287,P48039,Human,EFPPEA,7774,,24954989,CCc1nn2c(c1CCNC(=O)C)c1CCOc1cc2,"InChI=1S/C15H19N3O2/c1-3-13-11(4-7-16-10(2)19)15-12-6-9-20-14(12)5-8-18(15)17-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19)",IZDHETWMKYCGAU-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKi,,10.2,,Ki,,0.062,,=,,,,21568291, MT1 receptor,287,P48039,Human,"2-methoxy-α,β-didehydro-agomelatine",7775,,71533431,COc1ccc2c(c1/C=C/NC(=O)C)cc(cc2)OC,"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+",HMYFXYOFPXZULT-CMDGGOBGSA-N,Agonist,Full agonist,,,,,pKi,,10.5,,Ki,,0.03,,=,,,,23265885, MT1 receptor,287,P48039,Human,difluoroagomelatine,7776,,57381112,COc1ccc2c(c1)c(CCNC(=O)C(F)F)ccc2,"InChI=1S/C15H15F2NO2/c1-20-12-6-5-10-3-2-4-11(13(10)9-12)7-8-18-15(19)14(16)17/h2-6,9,14H,7-8H2,1H3,(H,18,19)",UTLRQLQDJLNKNY-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKi,,10.5,,Ki,,0.03,,=,,,,22301214, MT1 receptor,287,P48039,Human,UCM 793,7777,,24750192,COc1cccc(c1)N(CCNC(=O)C)C,"InChI=1S/C12H18N2O2/c1-10(15)13-7-8-14(2)11-5-4-6-12(9-11)16-3/h4-6,9H,7-8H2,1-3H3,(H,13,15)",FAWOXVGCBAVSFR-UHFFFAOYSA-N,Agonist,Full agonist,,,,,pKi,,9.1,,,,,,=,,,,18052314, MT1 receptor,287,P48039,Human,CBOBNEA,7778,,9957516,CC(=O)NCCc1cccc2c1cc(OCCCCOc1ccc(cc1)c1ccc(cc1)C(=O)O)cc2,"InChI=1S/C31H31NO5/c1-22(33)32-18-17-26-6-4-5-25-13-16-29(21-30(25)26)37-20-3-2-19-36-28-14-11-24(12-15-28)23-7-9-27(10-8-23)31(34)35/h4-16,21H,2-3,17-20H2,1H3,(H,32,33)(H,34,35)",VTMXSWVEWDJSKG-UHFFFAOYSA-N,Agonist,Partial agonist,,,,,pKi,,9.3,,Ki,,0.55,,=,,,,20444610, MT1 receptor,287,P48039,Human,AAE-M-PBP-amine,8289,,24763223,CC(=O)NCCN(c1cccc(c1)OCCCCc1ccccc1)C,"InChI=1S/C21H28N2O2/c1-18(24)22-14-15-23(2)20-12-8-13-21(17-20)25-16-7-6-11-19-9-4-3-5-10-19/h3-5,8-10,12-13,17H,6-7,11,14-16H2,1-2H3,(H,22,24)",VJIVACBGAAEDPS-UHFFFAOYSA-N,Agonist,Partial agonist,,,,,pKi,,8.9,,,,,,=,,,,22927210, MT1 receptor,287,P48039,Human,UCSF3384,10665,,137977202,CC(c1ccc(cc1)CNc1cccc(c1)c1[nH]cnn1)C,"InChI=1S/C18H20N4/c1-13(2)15-8-6-14(7-9-15)11-19-17-5-3-4-16(10-17)18-20-12-21-22-18/h3-10,12-13,19H,11H2,1-2H3,(H,20,21,22)",GXZIJEFRHJOZBW-UHFFFAOYSA-N,Agonist,Inverse agonist,,,,,pEC50,,7.9,,EC50,,12.59,,=,,,,32040955, MT1 receptor,287,P48039,Human,UCSF7447,10666,,138993662,Clc1ccc(c(c1)Br)CNc1cccc(c1)c1nnc[nH]1,"InChI=1S/C15H12BrClN4/c16-14-7-12(17)5-4-11(14)8-18-13-3-1-2-10(6-13)15-19-9-20-21-15/h1-7,9,18H,8H2,(H,19,20,21)",QPTCYEYTAWEZNT-UHFFFAOYSA-N,Agonist,Inverse agonist,,,,,pEC50,,7.32,,EC50,,47.86,,=,,,,32040955, MT1 receptor,287,P48039,Human,UCSF4226,10667,,103828029,COc1ccc(c(c1)CNc1cccnc1)Br,"InChI=1S/C13H13BrN2O/c1-17-12-4-5-13(14)10(7-12)8-16-11-3-2-6-15-9-11/h2-7,9,16H,8H2,1H3",BLNNXJOEJRKHAM-UHFFFAOYSA-N,Agonist,Agonist,,,,,pEC50,,6.83,,EC50,,147.9,,=,,,,32040955, MT1 receptor,287,P48039,Human,ICOA-13,11196,,154699456,COc1ccc2c(n1)c(CCNC(=O)C)cn2CCNC(=O)CCCCCN1c2ccc(cc2C(/C/1=C\C=C\C1=[N+](CC)c2c(C1(C)C)cc(cc2)S(=O)(=O)O)(C)C)S(=O)(=O)[O-],"InChI=1S/C45H56N6O9S2/c1-8-50-36-18-16-32(61(54,55)56)27-34(36)44(3,4)39(50)13-12-14-40-45(5,6)35-28-33(62(57,58)59)17-19-37(35)51(40)25-11-9-10-15-41(53)47-24-26-49-29-31(22-23-46-30(2)52)43-38(49)20-21-42(48-43)60-7/h12-14,16-21,27-29H,8-11,15,22-26H2,1-7H3,(H3-,46,47,52,53,54,55,56,57,58,59)",UCZXUWQDKMFXCJ-UHFFFAOYSA-N,Agonist,Partial agonist,,,,,pKi,,4.97,,Ki,,10715.0,,=,,,,28493341, MT1 receptor,287,P48039,Human,UCM1341,12324,,145966622,O=C(C)NCCc1c(Br)[nH]c2c1cc(cc2)OCCCCCCNC(=O)Oc1cc(ccc1)c1ccccc1,"InChI=1S/C31H34BrN3O4/c1-22(36)33-18-16-27-28-21-25(14-15-29(28)35-30(27)32)38-19-8-3-2-7-17-34-31(37)39-26-13-9-12-24(20-26)23-10-5-4-6-11-23/h4-6,9-15,20-21,35H,2-3,7-8,16-19H2,1H3,(H,33,36)(H,34,37)",SVUSBZIJILRPDJ-UHFFFAOYSA-N,Agonist,Agonist,,,,,pKi,,9.11,,Ki,,0.78,,=,,,,30126274,