Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'julius' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266433 (CHEMBL445427 | N-(2-{5-Methoxy-2-[(2,3-dihydro-1H-...) Show SMILES COc1ccc2[nH]c(CN3CCc4ccccc34)c(CCNC(=O)C3CCC3)c2c1 Show InChI InChI=1S/C25H29N3O2/c1-30-19-9-10-22-21(15-19)20(11-13-26-25(29)18-6-4-7-18)23(27-22)16-28-14-12-17-5-2-3-8-24(17)28/h2-3,5,8-10,15,18,27H,4,6-7,11-14,16H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266405 (CHEMBL457128 | N-(3-(3-methoxyphenyl)-3-(naphthale...) Show SMILES COc1cccc(c1)C(CCNC(C)=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H23NO2/c1-16(24)23-13-12-22(19-8-5-9-21(15-19)25-2)20-11-10-17-6-3-4-7-18(17)14-20/h3-11,14-15,22H,12-13H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50240952 ((4-Methoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-...) Show SMILES CCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc12 Show InChI InChI=1S/C20H23NO2/c1-3-20(22)21-13-17-11-15-7-5-4-6-14(15)10-16-8-9-18(23-2)12-19(16)17/h4-9,12,17H,3,10-11,13H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114704 (CHEMBL33549 | N-(2-(5-methoxy-2-(3-methoxybenzyl)b...) Show SMILES COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)c1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50240440 (4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...) Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50086001 (CHEMBL274438 | N-[2-(11-Methoxy-6,7-dihydro-5H-ben...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OC)cc12 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human melatonin MT1 receptor expressed in CHO cells				Bioorg Med Chem 16: 7654-61 (2008) Article DOI: 10.1016/j.bmc.2008.07.012 BindingDB Entry DOI: 10.7270/Q2J67GRZ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.741	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human melatonin MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 7654-61 (2008) Article DOI: 10.1016/j.bmc.2008.07.012 BindingDB Entry DOI: 10.7270/Q2J67GRZ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266354 (CHEMBL514280 | N-(2-((1R,3R)-7-methoxy-3-phenyl-1,...) Show SMILES COc1ccc2C[C@@H](C[C@H](CCNC(=O)C3CCC3)c2c1)c1ccccc1 |r| Show InChI InChI=1S/C24H29NO2/c1-27-22-11-10-19-14-21(17-6-3-2-4-7-17)15-20(23(19)16-22)12-13-25-24(26)18-8-5-9-18/h2-4,6-7,10-11,16,18,20-21H,5,8-9,12-15H2,1H3,(H,25,26)/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266430 (CHEMBL514415 | N-(2-{5-Methoxy-2-[(2,3-dihydro-1H-...) Show SMILES COc1ccc2[nH]c(CN3CCc4ccccc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H25N3O2/c1-15(26)23-11-9-18-19-13-17(27-2)7-8-20(19)24-21(18)14-25-12-10-16-5-3-4-6-22(16)25/h3-8,13,24H,9-12,14H2,1-2H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50240952 ((4-Methoxy-6,7-dihydro-5H-dibenzo[a,c]cyclohepten-...) Show SMILES CCC(=O)NCC1Cc2ccccc2Cc2ccc(OC)cc12 Show InChI InChI=1S/C20H23NO2/c1-3-20(22)21-13-17-11-15-7-5-4-6-14(15)10-16-8-9-18(23-2)12-19(16)17/h4-9,12,17H,3,10-11,13H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50241105 ((E)-N-[3-(3-methoxyphenyl)-3-phenyl-2-propenyl]ace...) Show SMILES COc1cccc(c1)C(=C\CNC(C)=O)\c1ccccc1 Show InChI InChI=1S/C18H19NO2/c1-14(20)19-12-11-18(15-7-4-3-5-8-15)16-9-6-10-17(13-16)21-2/h3-11,13H,12H2,1-2H3,(H,19,20)/b18-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50266434 (CHEMBL515856 | N-(2-{5-Methoxy-2-[(5-methoxy-2,3-d...) Show SMILES COc1ccc2N(Cc3[nH]c4ccc(OC)cc4c3CCNC(C)=O)CCc2c1 Show InChI InChI=1S/C23H27N3O3/c1-15(27)24-10-8-19-20-13-18(29-3)4-6-21(20)25-22(19)14-26-11-9-16-12-17(28-2)5-7-23(16)26/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266434 (CHEMBL515856 | N-(2-{5-Methoxy-2-[(5-methoxy-2,3-d...) Show SMILES COc1ccc2N(Cc3[nH]c4ccc(OC)cc4c3CCNC(C)=O)CCc2c1 Show InChI InChI=1S/C23H27N3O3/c1-15(27)24-10-8-19-20-13-18(29-3)4-6-21(20)25-22(19)14-26-11-9-16-12-17(28-2)5-7-23(16)26/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50272622 (2-((S)-2-Hydroxymethylindolin-1-ylmethyl)-melatoni...) Show SMILES COc1ccc2[nH]c(CN3[C@H](CO)Cc4ccccc34)c(CCNC(C)=O)c2c1 |r| Show InChI InChI=1S/C23H27N3O3/c1-15(28)24-10-9-19-20-12-18(29-2)7-8-21(20)25-22(19)13-26-17(14-27)11-16-5-3-4-6-23(16)26/h3-8,12,17,25,27H,9-11,13-14H2,1-2H3,(H,24,28)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human melatonin MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 7654-61 (2008) Article DOI: 10.1016/j.bmc.2008.07.012 BindingDB Entry DOI: 10.7270/Q2J67GRZ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50295871 (CHEMBL552002 | N-[2-(5-Methoxy-2-{[(4-methoxypheny...) Show SMILES COc1ccc(cc1)N(C)Cc1[nH]c2ccc(OC)cc2c1CCNC(C)=O Show InChI InChI=1S/C22H27N3O3/c1-15(26)23-12-11-19-20-13-18(28-4)9-10-21(20)24-22(19)14-25(2)16-5-7-17(27-3)8-6-16/h5-10,13,24H,11-12,14H2,1-4H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in CHO cells by gamma counting				Bioorg Med Chem 17: 4583-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.068 BindingDB Entry DOI: 10.7270/Q29W0FHG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266431 (CHEMBL457138 | N-(2-{5-Methoxy-2-[(2,3-dihydro-1H-...) Show SMILES CCCC(=O)NCCc1c(CN2C(C)Cc3ccccc23)[nH]c2ccc(OC)cc12 Show InChI InChI=1S/C25H31N3O2/c1-4-7-25(29)26-13-12-20-21-15-19(30-3)10-11-22(21)27-23(20)16-28-17(2)14-18-8-5-6-9-24(18)28/h5-6,8-11,15,17,27H,4,7,12-14,16H2,1-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50240442 (CHEMBL33185 | N-((1-(4-chlorobenzyl)-4-methoxy-1H-...) Show SMILES CCC(=O)NCc1cc2c(OC)cccc2n1Cc1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClN2O2/c1-3-20(24)22-12-16-11-17-18(5-4-6-19(17)25-2)23(16)13-14-7-9-15(21)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50295871 (CHEMBL552002 | N-[2-(5-Methoxy-2-{[(4-methoxypheny...) Show SMILES COc1ccc(cc1)N(C)Cc1[nH]c2ccc(OC)cc2c1CCNC(C)=O Show InChI InChI=1S/C22H27N3O3/c1-15(26)23-12-11-19-20-13-18(28-4)9-10-21(20)24-22(19)14-25(2)16-5-7-17(27-3)8-6-16/h5-10,13,24H,11-12,14H2,1-4H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in CHO cells by gamma counting				Bioorg Med Chem 17: 4583-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.068 BindingDB Entry DOI: 10.7270/Q29W0FHG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50272622 (2-((S)-2-Hydroxymethylindolin-1-ylmethyl)-melatoni...) Show SMILES COc1ccc2[nH]c(CN3[C@H](CO)Cc4ccccc34)c(CCNC(C)=O)c2c1 |r| Show InChI InChI=1S/C23H27N3O3/c1-15(28)24-10-9-19-20-12-18(29-2)7-8-21(20)25-22(19)13-26-17(14-27)11-16-5-3-4-6-23(16)26/h3-8,12,17,25,27H,9-11,13-14H2,1-2H3,(H,24,28)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human melatonin MT1 receptor expressed in CHO cells				Bioorg Med Chem 16: 7654-61 (2008) Article DOI: 10.1016/j.bmc.2008.07.012 BindingDB Entry DOI: 10.7270/Q2J67GRZ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266408 (CHEMBL508552 | N-(2-{5-Methoxy-2-[(2-methyl-2,3-di...) Show SMILES COc1ccc2[nH]c(CN3C(C)Cc4ccccc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H27N3O2/c1-15-12-17-6-4-5-7-23(17)26(15)14-22-19(10-11-24-16(2)27)20-13-18(28-3)8-9-21(20)25-22/h4-9,13,15,25H,10-12,14H2,1-3H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266432 (CHEMBL457352 | N-(2-{5-Methoxy-2-[2,3-dihydro-1H-i...) Show SMILES CCC(=O)NCCc1c(CN2CCc3ccccc23)[nH]c2ccc(OC)cc12 Show InChI InChI=1S/C23H27N3O2/c1-3-23(27)24-12-10-18-19-14-17(28-2)8-9-20(19)25-21(18)15-26-13-11-16-6-4-5-7-22(16)26/h4-9,14,25H,3,10-13,15H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266450 (CHEMBL514427 | N-(2-{5-Methoxy-2-[(5-methyl-2,3-di...) Show SMILES COc1ccc2[nH]c(CN3CCc4cc(C)ccc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H27N3O2/c1-15-4-7-23-17(12-15)9-11-26(23)14-22-19(8-10-24-16(2)27)20-13-18(28-3)5-6-21(20)25-22/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50272623 ((+/-)-2-(2-Hydroxymethylindolin-1-ylmethyl)-melato...) Show SMILES COc1ccc2[nH]c(CN3C(CO)Cc4ccccc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H27N3O3/c1-15(28)24-10-9-19-20-12-18(29-2)7-8-21(20)25-22(19)13-26-17(14-27)11-16-5-3-4-6-23(16)26/h3-8,12,17,25,27H,9-11,13-14H2,1-2H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human melatonin MT1 receptor expressed in CHO cells				Bioorg Med Chem 16: 7654-61 (2008) Article DOI: 10.1016/j.bmc.2008.07.012 BindingDB Entry DOI: 10.7270/Q2J67GRZ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266452 (CHEMBL514904 | N-{2-[5-Methoxy-2-(pyrrolidin-1ylme...) Show SMILES COc1ccc2[nH]c(CN3CCCC3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C18H25N3O2/c1-13(22)19-8-7-15-16-11-14(23-2)5-6-17(16)20-18(15)12-21-9-3-4-10-21/h5-6,11,20H,3-4,7-10,12H2,1-2H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266453 (CHEMBL513933 | N-(2-{5-Methoxy-2-[(6-nitro-2,3-dih...) Show SMILES COc1ccc2[nH]c(CN3CCc4ccc(cc34)[N+]([O-])=O)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H24N4O4/c1-14(27)23-9-7-18-19-12-17(30-2)5-6-20(19)24-21(18)13-25-10-8-15-3-4-16(26(28)29)11-22(15)25/h3-6,11-12,24H,7-10,13H2,1-2H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50114704 (CHEMBL33549 | N-(2-(5-methoxy-2-(3-methoxybenzyl)b...) Show SMILES COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)c1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266451 (CHEMBL457807 | N-(2-{2-[(5-Bromo-2,3-dihydro-1H-in...) Show SMILES COc1ccc2[nH]c(CN3CCc4cc(Br)ccc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H24BrN3O2/c1-14(27)24-9-7-18-19-12-17(28-2)4-5-20(19)25-21(18)13-26-10-8-15-11-16(23)3-6-22(15)26/h3-6,11-12,25H,7-10,13H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50272621 ((+/-)-2-(2-Hydroxymethyl-5-methoxyindolin-1-ylmeth...) Show SMILES COc1ccc2N(Cc3[nH]c4ccc(OC)cc4c3CCNC(C)=O)C(CO)Cc2c1 Show InChI InChI=1S/C24H29N3O4/c1-15(29)25-9-8-20-21-12-19(31-3)4-6-22(21)26-23(20)13-27-17(14-28)10-16-11-18(30-2)5-7-24(16)27/h4-7,11-12,17,26,28H,8-10,13-14H2,1-3H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human melatonin MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 7654-61 (2008) Article DOI: 10.1016/j.bmc.2008.07.012 BindingDB Entry DOI: 10.7270/Q2J67GRZ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50272621 ((+/-)-2-(2-Hydroxymethyl-5-methoxyindolin-1-ylmeth...) Show SMILES COc1ccc2N(Cc3[nH]c4ccc(OC)cc4c3CCNC(C)=O)C(CO)Cc2c1 Show InChI InChI=1S/C24H29N3O4/c1-15(29)25-9-8-20-21-12-19(31-3)4-6-22(21)26-23(20)13-27-17(14-28)10-16-11-18(30-2)5-7-24(16)27/h4-7,11-12,17,26,28H,8-10,13-14H2,1-3H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human melatonin MT1 receptor expressed in CHO cells				Bioorg Med Chem 16: 7654-61 (2008) Article DOI: 10.1016/j.bmc.2008.07.012 BindingDB Entry DOI: 10.7270/Q2J67GRZ
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50272623 ((+/-)-2-(2-Hydroxymethylindolin-1-ylmethyl)-melato...) Show SMILES COc1ccc2[nH]c(CN3C(CO)Cc4ccccc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H27N3O3/c1-15(28)24-10-9-19-20-12-18(29-2)7-8-21(20)25-22(19)13-26-17(14-27)11-16-5-3-4-6-23(16)26/h3-8,12,17,25,27H,9-11,13-14H2,1-2H3,(H,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human melatonin MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 7654-61 (2008) Article DOI: 10.1016/j.bmc.2008.07.012 BindingDB Entry DOI: 10.7270/Q2J67GRZ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50266432 (CHEMBL457352 | N-(2-{5-Methoxy-2-[2,3-dihydro-1H-i...) Show SMILES CCC(=O)NCCc1c(CN2CCc3ccccc23)[nH]c2ccc(OC)cc12 Show InChI InChI=1S/C23H27N3O2/c1-3-23(27)24-12-10-18-19-14-17(28-2)8-9-20(19)25-21(18)15-26-13-11-16-6-4-5-7-22(16)26/h4-9,14,25H,3,10-13,15H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50266450 (CHEMBL514427 | N-(2-{5-Methoxy-2-[(5-methyl-2,3-di...) Show SMILES COc1ccc2[nH]c(CN3CCc4cc(C)ccc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H27N3O2/c1-15-4-7-23-17(12-15)9-11-26(23)14-22-19(8-10-24-16(2)27)20-13-18(28-3)5-6-21(20)25-22/h4-7,12-13,25H,8-11,14H2,1-3H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50266431 (CHEMBL457138 | N-(2-{5-Methoxy-2-[(2,3-dihydro-1H-...) Show SMILES CCCC(=O)NCCc1c(CN2C(C)Cc3ccccc23)[nH]c2ccc(OC)cc12 Show InChI InChI=1S/C25H31N3O2/c1-4-7-25(29)26-13-12-20-21-15-19(30-3)10-11-22(21)27-23(20)16-28-17(2)14-18-8-5-6-9-24(18)28/h5-6,8-11,15,17,27H,4,7,12-14,16H2,1-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50240440 (4-P-PDOT | CHEMBL285718 | N-(4-Phenyl-1,2,3,4-tetr...) Show SMILES CCC(=O)NC1CC(c2ccccc2)c2ccccc2C1 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50295870 (CHEMBL563847 | N-{2-(5-Methoxy-2-({[methyl[4-(trif...) Show SMILES COc1ccc2[nH]c(CN(C)c3ccc(cc3)C(F)(F)F)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H24F3N3O2/c1-14(29)26-11-10-18-19-12-17(30-3)8-9-20(19)27-21(18)13-28(2)16-6-4-15(5-7-16)22(23,24)25/h4-9,12,27H,10-11,13H2,1-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human MT2 receptor expressed in CHO cells by gamma counting				Bioorg Med Chem 17: 4583-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.068 BindingDB Entry DOI: 10.7270/Q29W0FHG
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266406 (CHEMBL514413 | N-[2-(9-Methoxy-13a,14-dihydro-6H,1...) Show SMILES COc1ccc2n3CC4Cc5ccccc5N4Cc3c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H25N3O2/c1-15(27)24-10-9-19-20-12-18(28-2)7-8-22(20)26-13-17-11-16-5-3-4-6-21(16)25(17)14-23(19)26/h3-8,12,17H,9-11,13-14H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266406 (CHEMBL514413 | N-[2-(9-Methoxy-13a,14-dihydro-6H,1...) Show SMILES COc1ccc2n3CC4Cc5ccccc5N4Cc3c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H25N3O2/c1-15(27)24-10-9-19-20-12-18(28-2)7-8-22(20)26-13-17-11-16-5-3-4-6-21(16)25(17)14-23(19)26/h3-8,12,17H,9-11,13-14H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	65.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human melatonin MT2 receptor expressed in CHO cells				Bioorg Med Chem 16: 7654-61 (2008) Article DOI: 10.1016/j.bmc.2008.07.012 BindingDB Entry DOI: 10.7270/Q2J67GRZ
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50086001 (CHEMBL274438 | N-[2-(11-Methoxy-6,7-dihydro-5H-ben...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3CCCn2c2ccc(OC)cc12 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50266451 (CHEMBL457807 | N-(2-{2-[(5-Bromo-2,3-dihydro-1H-in...) Show SMILES COc1ccc2[nH]c(CN3CCc4cc(Br)ccc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H24BrN3O2/c1-14(27)24-9-7-18-19-12-17(28-2)4-5-20(19)25-21(18)13-26-10-8-15-11-16(23)3-6-22(15)26/h3-6,11-12,25H,7-10,13H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50266454 (CHEMBL456505 | N-(2-{2-[(6-Amino-2,3-dihydro-1H-in...) Show SMILES COc1ccc2[nH]c(CN3CCc4ccc(N)cc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H26N4O2/c1-14(27)24-9-7-18-19-12-17(28-2)5-6-20(19)25-21(18)13-26-10-8-15-3-4-16(23)11-22(15)26/h3-6,11-12,25H,7-10,13,23H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50295870 (CHEMBL563847 | N-{2-(5-Methoxy-2-({[methyl[4-(trif...) Show SMILES COc1ccc2[nH]c(CN(C)c3ccc(cc3)C(F)(F)F)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H24F3N3O2/c1-14(29)26-11-10-18-19-12-17(30-3)8-9-20(19)27-21(18)13-28(2)16-6-4-15(5-7-16)22(23,24)25/h4-9,12,27H,10-11,13H2,1-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	111	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of W£rzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]-iodomelatonin from human MT1 receptor expressed in CHO cells by gamma counting				Bioorg Med Chem 17: 4583-94 (2009) Article DOI: 10.1016/j.bmc.2009.04.068 BindingDB Entry DOI: 10.7270/Q29W0FHG
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50266430 (CHEMBL514415 | N-(2-{5-Methoxy-2-[(2,3-dihydro-1H-...) Show SMILES COc1ccc2[nH]c(CN3CCc4ccccc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H25N3O2/c1-15(26)23-11-9-18-19-13-17(27-2)7-8-20(19)24-21(18)14-25-12-10-16-5-3-4-6-22(16)25/h3-8,13,24H,9-12,14H2,1-2H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	114	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50266454 (CHEMBL456505 | N-(2-{2-[(6-Amino-2,3-dihydro-1H-in...) Show SMILES COc1ccc2[nH]c(CN3CCc4ccc(N)cc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H26N4O2/c1-14(27)24-9-7-18-19-12-17(28-2)5-6-20(19)25-21(18)13-26-10-8-15-3-4-16(23)11-22(15)26/h3-6,11-12,25H,7-10,13,23H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	118	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50266452 (CHEMBL514904 | N-{2-[5-Methoxy-2-(pyrrolidin-1ylme...) Show SMILES COc1ccc2[nH]c(CN3CCCC3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C18H25N3O2/c1-13(22)19-8-7-15-16-11-14(23-2)5-6-17(16)20-18(15)12-21-9-3-4-10-21/h5-6,11,20H,3-4,7-10,12H2,1-2H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50266405 (CHEMBL457128 | N-(3-(3-methoxyphenyl)-3-(naphthale...) Show SMILES COc1cccc(c1)C(CCNC(C)=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C22H23NO2/c1-16(24)23-13-12-22(19-8-5-9-21(15-19)25-2)20-11-10-17-6-3-4-7-18(17)14-20/h3-11,14-15,22H,12-13H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	132	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50266408 (CHEMBL508552 | N-(2-{5-Methoxy-2-[(2-methyl-2,3-di...) Show SMILES COc1ccc2[nH]c(CN3C(C)Cc4ccccc34)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H27N3O2/c1-15-12-17-6-4-5-7-23(17)26(15)14-22-19(10-11-24-16(2)27)20-13-18(28-3)8-9-21(20)25-22/h4-9,13,15,25H,10-12,14H2,1-3H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50241105 ((E)-N-[3-(3-methoxyphenyl)-3-phenyl-2-propenyl]ace...) Show SMILES COc1cccc(c1)C(=C\CNC(C)=O)\c1ccccc1 Show InChI InChI=1S/C18H19NO2/c1-14(20)19-12-11-18(15-7-4-3-5-8-15)16-9-6-10-17(13-16)21-2/h3-11,13H,12H2,1-2H3,(H,19,20)/b18-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50266453 (CHEMBL513933 | N-(2-{5-Methoxy-2-[(6-nitro-2,3-dih...) Show SMILES COc1ccc2[nH]c(CN3CCc4ccc(cc34)[N+]([O-])=O)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H24N4O4/c1-14(27)23-9-7-18-19-12-17(30-2)5-6-20(19)24-21(18)13-25-10-8-15-3-4-16(26(28)29)11-22(15)25/h3-6,11-12,24H,7-10,13H2,1-2H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]Iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 52: 826-33 (2009) Article DOI: 10.1021/jm800974d BindingDB Entry DOI: 10.7270/Q21J99N3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50266406 (CHEMBL514413 | N-[2-(9-Methoxy-13a,14-dihydro-6H,1...) Show SMILES COc1ccc2n3CC4Cc5ccccc5N4Cc3c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C23H25N3O2/c1-15(27)24-10-9-19-20-12-18(28-2)7-8-22(20)26-13-17-11-16-5-3-4-6-21(16)25(17)14-23(19)26/h3-8,12,17H,9-11,13-14H2,1-2H3,(H,24,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	319	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Würzburg Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human melatonin MT1 receptor expressed in CHO cells				Bioorg Med Chem 16: 7654-61 (2008) Article DOI: 10.1016/j.bmc.2008.07.012 BindingDB Entry DOI: 10.7270/Q2J67GRZ
					More data for this Ligand-Target Pair

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