Compile Data Set for Download or QSAR

Found 1102 hits of ki data for polymerid = 49000723,5662   

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))	BDBM50315177 (CHEMBL1091161 | N-(3-(2-(benzyloxy)-5-methoxypheny...) Show SMILES CCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1 Show InChI InChI=1S/C20H25NO3/c1-3-20(22)21-13-7-10-17-14-18(23-2)11-12-19(17)24-15-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,3,7,10,13,15H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.000550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]melatonin from human melatonin MT2 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2582-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.084 BindingDB Entry DOI: 10.7270/Q2S75GG4
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50315171 (CHEMBL1092646 | N-(3-(5-methoxy-2-(3-methoxybenzyl...) Show SMILES COc1cccc(COc2ccc(OC)cc2CCCNC(C)=O)c1 Show InChI InChI=1S/C20H25NO4/c1-15(22)21-11-5-7-17-13-19(24-3)9-10-20(17)25-14-16-6-4-8-18(12-16)23-2/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.000690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]melatonin from human melatonin MT2 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2582-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.084 BindingDB Entry DOI: 10.7270/Q2S75GG4
					More data for this Ligand-Target Pair
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))	BDBM50315178 (CHEMBL1088825 | N-(3-(2-(benzyloxy)-5-methoxypheny...) Show SMILES CCCC(=O)NCCCc1cc(OC)ccc1OCc1ccccc1 Show InChI InChI=1S/C21H27NO3/c1-3-8-21(23)22-14-7-11-18-15-19(24-2)12-13-20(18)25-16-17-9-5-4-6-10-17/h4-6,9-10,12-13,15H,3,7-8,11,14,16H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]melatonin from human melatonin MT2 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2582-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.084 BindingDB Entry DOI: 10.7270/Q2S75GG4
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343590 (CHEMBL1774531 | N-{2-[7-(1-Benzothien-3-yl)-1,6-di...) Show SMILES CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1csc2ccccc12 |t:6| Show InChI InChI=1S/C23H21NO2S/c1-14(25)24-10-8-17-19(20-13-27-22-5-3-2-4-16(20)22)12-15-6-7-21-18(23(15)17)9-11-26-21/h2-7,13H,8-12H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.00600	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
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 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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343601 (CHEMBL1774520 | N-{2-[7-(3-Thienylmethyl)-1,6-dihy...) Show SMILES CC(=O)NCCC1=C(Cc2ccsc2)Cc2ccc3OCCc3c12 |c:6| Show InChI InChI=1S/C20H21NO2S/c1-13(22)21-7-4-17-16(10-14-6-9-24-12-14)11-15-2-3-19-18(20(15)17)5-8-23-19/h2-3,6,9,12H,4-5,7-8,10-11H2,1H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00670	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343603 (CHEMBL1774518 | N-[2-(7-Benzyl-1,6-dihydro-2H-inde...) Show SMILES CC(=O)NCCC1=C(Cc2ccccc2)Cc2ccc3OCCc3c12 |c:6| Show InChI InChI=1S/C22H23NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h2-8H,9-14H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00850	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343595 (CHEMBL1774526 | N-{2-[7-(3-Methoxyphenyl)-1,6-dihy...) Show SMILES COc1cccc(c1)C1=C(CCNC(C)=O)c2c(C1)ccc1OCCc21 |c:9| Show InChI InChI=1S/C22H23NO3/c1-14(24)23-10-8-18-20(15-4-3-5-17(12-15)25-2)13-16-6-7-21-19(22(16)18)9-11-26-21/h3-7,12H,8-11,13H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00900	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343598 (CHEMBL1774523 | N-{2-[7-(3-Furyl)-1,6-dihydro-2H-i...) Show SMILES CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1ccoc1 |t:6| Show InChI InChI=1S/C19H19NO3/c1-12(21)20-7-4-15-17(14-5-8-22-11-14)10-13-2-3-18-16(19(13)15)6-9-23-18/h2-3,5,8,11H,4,6-7,9-10H2,1H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00960	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343605 (2,2,2-Trifluoro-N-[2-(7-isopropyl-1,6-dihydro-2H-i...) Show SMILES CC(C)C1=C(CCNC(=O)C(F)(F)F)c2c(C1)ccc1OCCc21 |c:3| Show InChI InChI=1S/C18H20F3NO2/c1-10(2)14-9-11-3-4-15-13(6-8-24-15)16(11)12(14)5-7-22-17(23)18(19,20)21/h3-4,10H,5-9H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114725 (CHEMBL314512 | N-[2-(5-Methoxy-2-phenyl-benzofuran...) Show SMILES COc1ccc2oc(c(CCNC(=O)C=C)c2c1)-c1ccccc1 Show InChI InChI=1S/C20H19NO3/c1-3-19(22)21-12-11-16-17-13-15(23-2)9-10-18(17)24-20(16)14-7-5-4-6-8-14/h3-10,13H,1,11-12H2,2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL					Assay Description Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...				J Med Chem 45: 2788-800 (2002) BindingDB Entry DOI: 10.7270/Q2Q52P0W
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM29611 (2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by PDSP Ki Database									Neuron 13: 1177-85 (1994) Article DOI: 10.1016/0896-6273(94)90055-8 BindingDB Entry DOI: 10.7270/Q27P8WXK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343607 (CHEMBL1774514 | N-[2-(7-Isopropyl-1,6-dihydro-2H-i...) Show SMILES CCC(=O)NCCC1=C(Cc2ccc3OCCc3c12)C(C)C |t:7| Show InChI InChI=1S/C19H25NO2/c1-4-18(21)20-9-7-14-16(12(2)3)11-13-5-6-17-15(19(13)14)8-10-22-17/h5-6,12H,4,7-11H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0110	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343592 (CHEMBL1774529 | N-{2-[7-(3-Isopropylphenyl)-1,6-di...) Show SMILES CC(C)c1cccc(c1)C1=C(CCNC(C)=O)c2c(C1)ccc1OCCc21 |c:10| Show InChI InChI=1S/C24H27NO2/c1-15(2)17-5-4-6-18(13-17)22-14-19-7-8-23-21(10-12-27-23)24(19)20(22)9-11-25-16(3)26/h4-8,13,15H,9-12,14H2,1-3H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0110	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343602 (CHEMBL1774519 | N-{2-[7-(Cyclohexylmethyl)-1,6-dih...) Show SMILES CC(=O)NCCC1=C(CC2CCCCC2)Cc2ccc3OCCc3c12 |c:6| Show InChI InChI=1S/C22H29NO2/c1-15(24)23-11-9-19-18(13-16-5-3-2-4-6-16)14-17-7-8-21-20(22(17)19)10-12-25-21/h7-8,16H,2-6,9-14H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0120	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343600 (CHEMBL1774521 | N-[2-(7-Bromo-1,6-dihydro-2H-inden...) Show SMILES CC(=O)NCCC1=C(Br)Cc2ccc3OCCc3c12 |c:6| Show InChI InChI=1S/C15H16BrNO2/c1-9(18)17-6-4-11-13(16)8-10-2-3-14-12(15(10)11)5-7-19-14/h2-3H,4-8H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0140	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					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	0.0158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expressed in NIH3T3 rat fibroblast cells				J Med Chem 48: 4049-60 (2005) Article DOI: 10.1021/jm048956y BindingDB Entry DOI: 10.7270/Q2319ZND
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343608 (CHEMBL1774513 | N-[2-(7-Isopropyl-1,6-dihydro-2H-i...) Show SMILES CC(C)C1=C(CCNC(C)=O)c2c(C1)ccc1OCCc21 |c:3| Show InChI InChI=1S/C18H23NO2/c1-11(2)16-10-13-4-5-17-15(7-9-21-17)18(13)14(16)6-8-19-12(3)20/h4-5,11H,6-10H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0180	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343596 (CHEMBL1774525 | N-{2-[7-(2-Methoxyphenyl)-1,6-dihy...) Show SMILES COc1ccccc1C1=C(CCNC(C)=O)c2c(C1)ccc1OCCc21 |c:9| Show InChI InChI=1S/C22H23NO3/c1-14(24)23-11-9-17-19(16-5-3-4-6-20(16)25-2)13-15-7-8-21-18(22(15)17)10-12-26-21/h3-8H,9-13H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0200	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114718 (But-3-enoic acid [2-(5-methoxy-2-phenyl-benzofuran...) Show SMILES COc1ccc2oc(c(CCNC(=O)CC=C)c2c1)-c1ccccc1 Show InChI InChI=1S/C21H21NO3/c1-3-7-20(23)22-13-12-17-18-14-16(24-2)10-11-19(18)25-21(17)15-8-5-4-6-9-15/h3-6,8-11,14H,1,7,12-13H2,2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL					Assay Description Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...				J Med Chem 45: 2788-800 (2002) BindingDB Entry DOI: 10.7270/Q2Q52P0W
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114703 (CHEMBL287560 | N-[2-(5-Methoxy-2-phenyl-benzofuran...) Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H19NO3/c1-13(21)20-11-10-16-17-12-15(22-2)8-9-18(17)23-19(16)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...				J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114703 (CHEMBL287560 | N-[2-(5-Methoxy-2-phenyl-benzofuran...) Show SMILES COc1ccc2oc(c(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H19NO3/c1-13(21)20-11-10-16-17-12-15(22-2)8-9-18(17)23-19(16)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL					Assay Description Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...				J Med Chem 45: 2788-800 (2002) BindingDB Entry DOI: 10.7270/Q2Q52P0W
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343609 (CHEMBL1774512 | N-[2-(1,6-Dihydro-2H-indeno[5,4-b]...) Show SMILES CC(=O)NCCC1=CCc2ccc3OCCc3c12 |t:6| Show InChI InChI=1S/C15H17NO2/c1-10(17)16-8-6-12-3-2-11-4-5-14-13(15(11)12)7-9-18-14/h3-5H,2,6-9H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0220	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50477319 (CHEMBL394273) Show SMILES COc1cccc(c1)N(CCNC(C)=O)c1cccc(OC)c1 Show InChI InChI=1S/C18H22N2O3/c1-14(21)19-10-11-20(15-6-4-8-17(12-15)22-2)16-7-5-9-18(13-16)23-3/h4-9,12-13H,10-11H2,1-3H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells				J Med Chem 50: 6618-26 (2007) Article DOI: 10.1021/jm700957j BindingDB Entry DOI: 10.7270/Q2M32ZJR
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50425203 (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+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Paris-Sud Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting				Bioorg Med Chem Lett 23: 430-4 (2012) Article DOI: 10.1016/j.bmcl.2012.11.069 BindingDB Entry DOI: 10.7270/Q2QJ7JM0
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50230960 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK or CHO cell membranes after 120 mins				Eur J Med Chem 127: 621-631 (2017) Article DOI: 10.1016/j.ejmech.2016.12.013 BindingDB Entry DOI: 10.7270/Q24F1SZS
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50139844 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ d'Orl£ans Curated by ChEMBL					Assay Description Displacement of [125I]2-Iodomelatonin from human MT2 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay				Eur J Med Chem 109: 268-75 (2016) Article DOI: 10.1016/j.ejmech.2016.01.008 BindingDB Entry DOI: 10.7270/Q2NC6318
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM29611 (2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 1239-45 (1998) BindingDB Entry DOI: 10.7270/Q2PK0DPM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50035179 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 1239-45 (1998) BindingDB Entry DOI: 10.7270/Q2PK0DPM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50034110 (CHEMBL15060 | Melatonin,2-Phenyl | N-[2-(5-Methoxy...) Show SMILES COc1ccc2[nH]c(c(CCNC(C)=O)c2c1)-c1ccccc1 Show InChI InChI=1S/C19H20N2O2/c1-13(22)20-11-10-16-17-12-15(23-2)8-9-18(17)21-19(16)14-6-4-3-5-7-14/h3-9,12,21H,10-11H2,1-2H3,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&agrove; degli Studi di Milano Curated by PDSP Ki Database									Br J Pharmacol 127: 1288-94 (1999) Article DOI: 10.1038/sj.bjp.0702658 BindingDB Entry DOI: 10.7270/Q20G3HQ6
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50315183 (CHEMBL1091998 | N-(3-(2-(3,5-dimethoxybenzyloxy)-5...) Show SMILES COc1ccc(OCc2cc(OC)cc(OC)c2)c(CCCNC(C)=O)c1 Show InChI InChI=1S/C21H27NO5/c1-15(23)22-9-5-6-17-12-18(24-2)7-8-21(17)27-14-16-10-19(25-3)13-20(11-16)26-4/h7-8,10-13H,5-6,9,14H2,1-4H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0326	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]melatonin from human melatonin MT2 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2582-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.084 BindingDB Entry DOI: 10.7270/Q2S75GG4
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50093264 (CHEMBL130214 | N-(8-Methoxy-acenaphthen-1-ylmethyl...) Show SMILES CCCC(=O)NCC1Cc2cccc3ccc(OC)c1c23 Show InChI InChI=1S/C18H21NO2/c1-3-5-16(20)19-11-14-10-13-7-4-6-12-8-9-15(21-2)18(14)17(12)13/h4,6-9,14H,3,5,10-11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity for melatonin receptor type 1B, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)				J Med Chem 43: 4051-62 (2000) BindingDB Entry DOI: 10.7270/Q20Z72JX
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343597 (CHEMBL1774524 | N-[2-(7-Pyridin-3-yl-1,6-dihydro-2...) Show SMILES CC(=O)NCCC1=C(Cc2ccc3OCCc3c12)c1cccnc1 |t:6| Show InChI InChI=1S/C20H20N2O2/c1-13(23)22-9-6-16-18(15-3-2-8-21-12-15)11-14-4-5-19-17(20(14)16)7-10-24-19/h2-5,8,12H,6-7,9-11H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0340	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343606 (CHEMBL1774515 | N-[2-(7-Isopropyl-1,6-dihydro-2H-i...) Show SMILES CC(C)C1=C(CCNC(=O)C2CC2)c2c(C1)ccc1OCCc21 |c:3| Show InChI InChI=1S/C20H25NO2/c1-12(2)17-11-14-5-6-18-16(8-10-23-18)19(14)15(17)7-9-21-20(22)13-3-4-13/h5-6,12-13H,3-4,7-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0350	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50343594 (CHEMBL1774527 | N-{2-[7-(4-Methoxyphenyl)-1,6-dihy...) Show SMILES COc1ccc(cc1)C1=C(CCNC(C)=O)c2c(C1)ccc1OCCc21 |c:9| Show InChI InChI=1S/C22H23NO3/c1-14(24)23-11-9-18-20(15-3-6-17(25-2)7-4-15)13-16-5-8-21-19(22(16)18)10-12-26-21/h3-8H,9-13H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0370	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 [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting				J Med Chem 54: 3436-44 (2011) Article DOI: 10.1021/jm200221q BindingDB Entry DOI: 10.7270/Q2028RVN
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50140304 (CHEMBL19211 | N-[(1R,2R)-2-(2-Propyl-2,3-dihydro-b...) Show SMILES CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)CCC)c2O1 Show InChI InChI=1S/C18H26N2O2/c1-3-6-16(21)19-11-12-10-14(12)13-8-5-9-15-18(13)22-17(20-15)7-4-2/h5,8-9,12,14,17,20H,3-4,6-7,10-11H2,1-2H3,(H,19,21)/t12-,14+,17?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding of 2-[125I]-iodomelatonin to membrane preparations of NIH3T3 cells stably expressing human Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 1197-200 (2004) Article DOI: 10.1016/j.bmcl.2003.12.052 BindingDB Entry DOI: 10.7270/Q2CF9PJC
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50125758 (CHEMBL14417 | N-[2-(7-{10-[8-(2-Acetylamino-ethyl)...) Show SMILES CC(=O)NCCc1cccc2ccc(OCCCCCCCCCCOc3ccc4cccc(CCNC(C)=O)c4c3)cc12 Show InChI InChI=1S/C38H48N2O4/c1-29(41)39-23-21-33-15-11-13-31-17-19-35(27-37(31)33)43-25-9-7-5-3-4-6-8-10-26-44-36-20-18-32-14-12-16-34(38(32)28-36)22-24-40-30(2)42/h11-20,27-28H,3-10,21-26H2,1-2H3,(H,39,41)(H,40,42)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Lille 2 Curated by ChEMBL					Assay Description Binding affinity for human Melatonin receptor type 1B stably transfected in human embryonic kidney cells (HEK 293) using 2-[125I]-iodomelatonin as ra...				J Med Chem 46: 1127-9 (2003) Article DOI: 10.1021/jm0255872 BindingDB Entry DOI: 10.7270/Q2FT8KDC
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114732 (1-[2-(5-Methoxy-2-phenyl-benzofuran-3-yl)-ethyl]-3...) Show SMILES CNC(=O)NCCc1c(oc2ccc(OC)cc12)-c1ccccc1 Show InChI InChI=1S/C19H20N2O3/c1-20-19(22)21-11-10-15-16-12-14(23-2)8-9-17(16)24-18(15)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL					Assay Description Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...				J Med Chem 45: 2788-800 (2002) BindingDB Entry DOI: 10.7270/Q2Q52P0W
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50035179 (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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank US Patent	0.0420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The binding assay was performed in melatonergic MT1 and MT2 receptors in order to check the receptor affinity for the ligand, i.e., the ability of th...				Citation and Details BindingDB Entry DOI: 10.7270/Q24Q7Z44
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50118470 (CHEMBL1218 | N-[2-(1,6,7,8-Tetrahydro-2H-3-oxa-as-...) Show SMILES CCC(=O)NCC[C@@H]1CCc2ccc3OCCc3c12 Show InChI 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	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Chemical Industries, Ltd. Curated by ChEMBL					Assay Description Binding affinity against human Melatonin receptor type 1B (MT2)				J Med Chem 45: 4222-39 (2002) BindingDB Entry DOI: 10.7270/Q2D799S6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50112200 (CHEMBL300056 | N-(2-(2-iodo-5-methoxy-1-methyl-1H-...) Show SMILES COc1ccc2n(C)c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C14H17IN2O2/c1-9(18)16-7-6-11-12-8-10(19-3)4-5-13(12)17(2)14(11)15/h4-5,8H,6-7H2,1-3H3,(H,16,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to human Melatonin receptor type 1B expressed in HEK293 cells				J Med Chem 45: 1853-9 (2002) BindingDB Entry DOI: 10.7270/Q2V69HX5
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50315176 (CHEMBL1091160 | N-(3-(2-(benzyloxy)-5-methoxypheny...) Show SMILES COc1ccc(OCc2ccccc2)c(CCCNC(C)=O)c1 Show InChI InChI=1S/C19H23NO3/c1-15(21)20-12-6-9-17-13-18(22-2)10-11-19(17)23-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13H,6,9,12,14H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0471	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]melatonin from human melatonin MT2 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2582-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.084 BindingDB Entry DOI: 10.7270/Q2S75GG4
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114716 (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H21NO3/c1-14(22)21-11-10-17-18-13-16(23-2)8-9-19(18)24-20(17)12-15-6-4-3-5-7-15/h3-9,13H,10-12H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL					Assay Description Binding affinity on human melatonin receptor type 1B stably transfected in human embryonic kidney (HEK 293) cells using 2-[125I]-iodomelatonin as rad...				J Med Chem 45: 2788-800 (2002) BindingDB Entry DOI: 10.7270/Q2Q52P0W
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50086013 (CHEMBL10009 | N-[2-(2-Methoxy-6H-isoindolo[2,1-a]i...) Show SMILES CCCC(=O)NCCc1c2-c3ccccc3Cn2c2ccc(OC)cc12 Show InChI 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)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
King's College London Curated by ChEMBL					Assay Description Binding affinity towards recombinant human melatonin receptor type 1B expressed in NIH 3T3 cells using 2-[121I]iodomelatonin radioligand binding assa...				J Med Chem 43: 1050-61 (2000) BindingDB Entry DOI: 10.7270/Q2VQ33DC
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114716 (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H21NO3/c1-14(22)21-11-10-17-18-13-16(23-2)8-9-19(18)24-20(17)12-15-6-4-3-5-7-15/h3-9,13H,10-12H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged KDM4B (1 to 500 residues) expressed in baculovirus infected sf9 cells using biotin-H3K9me3 as s...				J Med Chem 59: 810-40 (2016) Article DOI: 10.1021/acs.jmedchem.5b00982 BindingDB Entry DOI: 10.7270/Q2XS5X8K
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114716 (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H21NO3/c1-14(22)21-11-10-17-18-13-16(23-2)8-9-19(18)24-20(17)12-15-6-4-3-5-7-15/h3-9,13H,10-12H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Displacement of [125I]2-iodomelatonin from MT2 receptor (unknown origin) expressed in HEK293 cells				J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM29611 (2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit&agrove; degli Studi di Milano Curated by PDSP Ki Database									Br J Pharmacol 127: 1288-94 (1999) Article DOI: 10.1038/sj.bjp.0702658 BindingDB Entry DOI: 10.7270/Q20G3HQ6
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM29611 (2-Iodomelatonin | CHEMBL289233 | Melatonin,2-Iodo) Show SMILES COc1ccc2[nH]c(I)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15IN2O2/c1-8(17)15-6-5-10-11-7-9(18-2)3-4-12(11)16-13(10)14/h3-4,7,16H,5-6H2,1-2H3,(H,15,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development, Ltd. Curated by PDSP Ki Database									J Pharmacol Exp Ther 285: 1239-45 (1998) BindingDB Entry DOI: 10.7270/Q2PK0DPM
					More data for this Ligand-Target Pair

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