Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50033577   

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))	BDBM50343599 (CHEMBL1774522 | N-[2-(7-Phenyl-1,6-dihydro-2H-inde...) Show SMILES CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1ccccc1 |t:6| Show InChI InChI=1S/C21H21NO2/c1-14(23)22-11-9-17-19(15-5-3-2-4-6-15)13-16-7-8-20-18(21(16)17)10-12-24-20/h2-8H,9-13H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50343599 (CHEMBL1774522 | N-[2-(7-Phenyl-1,6-dihydro-2H-inde...) Show SMILES CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1ccccc1 |t:6| Show InChI InChI=1S/C21H21NO2/c1-14(23)22-11-9-17-19(15-5-3-2-4-6-15)13-16-7-8-20-18(21(16)17)10-12-24-20/h2-8H,9-13H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347590 (CHEMBL1802028) Show SMILES CCC(=O)NCCc1c(nn2ccc3OCCc3c12)C1CC1 Show InChI InChI=1S/C17H21N3O2/c1-2-15(21)18-8-5-13-16(11-3-4-11)19-20-9-6-14-12(17(13)20)7-10-22-14/h6,9,11H,2-5,7-8,10H2,1H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347593 (CHEMBL1802026) Show SMILES CCC(=O)NCCc1c(CC)nn2ccc3OCCc3c12 Show InChI InChI=1S/C16H21N3O2/c1-3-13-11(5-8-17-15(20)4-2)16-12-7-10-21-14(12)6-9-19(16)18-13/h6,9H,3-5,7-8,10H2,1-2H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347589 (CHEMBL1802027) Show SMILES CC(=O)NCCc1c(nn2ccc3OCCc3c12)C1CC1 Show InChI InChI=1S/C16H19N3O2/c1-10(20)17-7-4-13-15(11-2-3-11)18-19-8-5-14-12(16(13)19)6-9-21-14/h5,8,11H,2-4,6-7,9H2,1H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347588 (CHEMBL1802025) Show SMILES CCc1nn2ccc3OCCc3c2c1CCNC(C)=O Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347585 (CHEMBL1802022) Show SMILES CC(=O)NCCc1c(nn2ccc3OCCc3c12)-c1ccccc1 Show InChI InChI=1S/C19H19N3O2/c1-13(23)20-10-7-16-18(14-5-3-2-4-6-14)21-22-11-8-17-15(19(16)22)9-12-24-17/h2-6,8,11H,7,9-10,12H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347587 (CHEMBL1802024) Show SMILES CCC(=O)NCCc1c(C)nn2ccc3OCCc3c12 Show InChI InChI=1S/C15H19N3O2/c1-3-14(19)16-7-4-11-10(2)17-18-8-5-13-12(15(11)18)6-9-20-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50347585 (CHEMBL1802022) Show SMILES CC(=O)NCCc1c(nn2ccc3OCCc3c12)-c1ccccc1 Show InChI InChI=1S/C19H19N3O2/c1-13(23)20-10-7-16-18(14-5-3-2-4-6-14)21-22-11-8-17-15(19(16)22)9-12-24-17/h2-6,8,11H,7,9-10,12H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50347590 (CHEMBL1802028) Show SMILES CCC(=O)NCCc1c(nn2ccc3OCCc3c12)C1CC1 Show InChI InChI=1S/C17H21N3O2/c1-2-15(21)18-8-5-13-16(11-3-4-11)19-20-9-6-14-12(17(13)20)7-10-22-14/h6,9,11H,2-5,7-8,10H2,1H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347586 (CHEMBL1802023) Show SMILES CC(=O)NCCc1c(C)nn2ccc3OCCc3c12 Show InChI InChI=1S/C14H17N3O2/c1-9-11(3-6-15-10(2)18)14-12-5-8-19-13(12)4-7-17(14)16-9/h4,7H,3,5-6,8H2,1-2H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50347587 (CHEMBL1802024) Show SMILES CCC(=O)NCCc1c(C)nn2ccc3OCCc3c12 Show InChI InChI=1S/C15H19N3O2/c1-3-14(19)16-7-4-11-10(2)17-18-8-5-13-12(15(11)18)6-9-20-13/h5,8H,3-4,6-7,9H2,1-2H3,(H,16,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					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	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50347593 (CHEMBL1802026) Show SMILES CCC(=O)NCCc1c(CC)nn2ccc3OCCc3c12 Show InChI InChI=1S/C16H21N3O2/c1-3-13-11(5-8-17-15(20)4-2)16-12-7-10-21-14(12)6-9-19(16)18-13/h6,9H,3-5,7-8,10H2,1-2H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					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	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50347589 (CHEMBL1802027) Show SMILES CC(=O)NCCc1c(nn2ccc3OCCc3c12)C1CC1 Show InChI InChI=1S/C16H19N3O2/c1-10(20)17-7-4-13-15(11-2-3-11)18-19-8-5-14-12(16(13)19)6-9-21-14/h5,8,11H,2-4,6-7,9H2,1H3,(H,17,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347592 (CHEMBL1802030) Show SMILES CCC(=O)NCCc1c(nn2ccc3OCCc3c12)C(F)(F)F Show InChI InChI=1S/C15H16F3N3O2/c1-2-12(22)19-6-3-10-13-9-5-8-23-11(9)4-7-21(13)20-14(10)15(16,17)18/h4,7H,2-3,5-6,8H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50347592 (CHEMBL1802030) Show SMILES CCC(=O)NCCc1c(nn2ccc3OCCc3c12)C(F)(F)F Show InChI InChI=1S/C15H16F3N3O2/c1-2-12(22)19-6-3-10-13-9-5-8-23-11(9)4-7-21(13)20-14(10)15(16,17)18/h4,7H,2-3,5-6,8H2,1H3,(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50347588 (CHEMBL1802025) Show SMILES CCc1nn2ccc3OCCc3c2c1CCNC(C)=O Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347591 (CHEMBL1802029) Show SMILES CC(=O)NCCc1c(nn2ccc3OCCc3c12)C(F)(F)F Show InChI InChI=1S/C14H14F3N3O2/c1-8(21)18-5-2-10-12-9-4-7-22-11(9)3-6-20(12)19-13(10)14(15,16)17/h3,6H,2,4-5,7H2,1H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50347586 (CHEMBL1802023) Show SMILES CC(=O)NCCc1c(C)nn2ccc3OCCc3c12 Show InChI InChI=1S/C14H17N3O2/c1-9-11(3-6-15-10(2)18)14-12-5-8-19-13(12)4-7-17(14)16-9/h4,7H,3,5-6,8H2,1-2H3,(H,15,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50347591 (CHEMBL1802029) Show SMILES CC(=O)NCCc1c(nn2ccc3OCCc3c12)C(F)(F)F Show InChI InChI=1S/C14H14F3N3O2/c1-8(21)18-5-2-10-12-9-4-7-22-11(9)3-6-20(12)19-13(10)14(15,16)17/h3,6H,2,4-5,7H2,1H3,(H,18,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50347584 (CHEMBL1802021) Show SMILES CC(=O)NCCn1c(nc2ccc3OCCc3c12)-c1ccccc1 Show InChI InChI=1S/C19H19N3O2/c1-13(23)20-10-11-22-18-15-9-12-24-17(15)8-7-16(18)21-19(22)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50347583 (CHEMBL1802020) Show SMILES CC(=O)NCCc1c(nc2ccc3OCCc3n12)-c1ccccc1 Show InChI InChI=1S/C19H19N3O2/c1-13(23)20-11-9-16-19(14-5-3-2-4-6-14)21-18-8-7-17-15(22(16)18)10-12-24-17/h2-8H,9-12H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	6.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347584 (CHEMBL1802021) Show SMILES CC(=O)NCCn1c(nc2ccc3OCCc3c12)-c1ccccc1 Show InChI InChI=1S/C19H19N3O2/c1-13(23)20-10-11-22-18-15-9-12-24-17(15)8-7-16(18)21-19(22)14-5-3-2-4-6-14/h2-8H,9-12H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347583 (CHEMBL1802020) Show SMILES CC(=O)NCCc1c(nc2ccc3OCCc3n12)-c1ccccc1 Show InChI InChI=1S/C19H19N3O2/c1-13(23)20-11-9-16-19(14-5-3-2-4-6-14)21-18-8-7-17-15(22(16)18)10-12-24-17/h2-8H,9-12H2,1H3,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					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	n/a	n/a	n/a	n/a	0.0260	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP release after 30 mins by multilabel p...				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50347588 (CHEMBL1802025) Show SMILES CCc1nn2ccc3OCCc3c2c1CCNC(C)=O Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.530	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP release after 30 mins by multilabel p...				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					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	n/a	n/a	n/a	n/a	0.820	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Agonist activity at human MT2 receptor expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP release after 30 mins by multilabel p...				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50347588 (CHEMBL1802025) Show SMILES CCc1nn2ccc3OCCc3c2c1CCNC(C)=O Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.0210	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Agonist activity at human MT1 receptor expressed in CHO cells assessed as decrease in forskolin-stimulated cAMP release after 30 mins by multilabel p...				J Med Chem 54: 4207-18 (2011) Article DOI: 10.1021/jm200385u BindingDB Entry DOI: 10.7270/Q2HT2PN3
					More data for this Ligand-Target Pair