Compile Data Set for Download or QSAR

Found 548 hits with Last Name = 'allainmat' and Initial = 'm'   

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
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50282059 (CHEMBL433452 | quinuclidine derivative) Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cccc2ccccc12 |wD:3.2,(5.68,-6.17,;5.7,-7.71,;7.04,-8.46,;8.37,-7.69,;9.7,-8.46,;11.03,-7.69,;10.21,-6.38,;9.12,-7.48,;8.35,-6.15,;9.69,-5.38,;11.03,-6.15,;4.37,-8.48,;4.37,-10.03,;3.02,-10.8,;1.69,-10.03,;1.69,-8.49,;.37,-7.72,;.36,-6.2,;1.69,-5.42,;3.02,-6.19,;3.02,-7.72,)| Show InChI InChI=1S/C18H20N2O/c21-18(19-17-12-20-10-8-14(17)9-11-20)16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14,17H,8-12H2,(H,19,21)/t17-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>0	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]-BRL-43694 displacement.				Bioorg Med Chem Lett 3: 1555-1558 (1993) Article DOI: 10.1016/S0960-894X(00)80017-7 BindingDB Entry DOI: 10.7270/Q2J38SHW
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50093262 (CHEMBL131252 | N-(9-Methoxy-2,3-dihydro-1H-phenale...) Show SMILES CCCC(=O)NCC1CCc2cccc3ccc(OC)c1c23 Show InChI InChI=1S/C19H23NO2/c1-3-5-17(21)20-12-15-9-8-13-6-4-7-14-10-11-16(22-2)19(15)18(13)14/h4,6-7,10-11,15H,3,5,8-9,12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.00800	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 human melatonin receptor type 1A, 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 1A (Homo sapiens (Human))	BDBM50093275 (CHEMBL132802 | N-(9-Methoxy-2,3-dihydro-1H-phenale...) Show SMILES COc1ccc2cccc3CCC(CNC(C)=O)c1c23 Show InChI InChI=1S/C17H19NO2/c1-11(19)18-10-14-7-6-12-4-3-5-13-8-9-15(20-2)17(14)16(12)13/h3-5,8-9,14H,6-7,10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0100	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 human melatonin receptor type 1A, 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 1A (Homo sapiens (Human))	BDBM50093293 (CHEMBL336054 | N-(4,9-Dimethoxy-2,3-dihydro-1H-phe...) Show SMILES CCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23 Show InChI InChI=1S/C19H23NO3/c1-4-17(21)20-11-13-5-8-14-15(22-2)9-6-12-7-10-16(23-3)19(13)18(12)14/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0120	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 human melatonin receptor type 1A, 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 1A (Homo sapiens (Human))	BDBM50093286 (CHEMBL336509 | N-(4,9-Dimethoxy-2,3-dihydro-1H-phe...) Show SMILES COc1ccc2ccc(OC)c3C(CNC(C)=O)CCc1c23 Show InChI InChI=1S/C18H21NO3/c1-11(20)19-10-13-4-7-14-15(21-2)8-5-12-6-9-16(22-3)18(13)17(12)14/h5-6,8-9,13H,4,7,10H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0150	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 human melatonin receptor type 1A, 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 1A (Homo sapiens (Human))	BDBM50093279 (CHEMBL340832 | N-(4,9-Dimethoxy-2,3-dihydro-1H-phe...) Show SMILES CCCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23 Show InChI InChI=1S/C20H25NO3/c1-4-5-18(22)21-12-14-6-9-15-16(23-2)10-7-13-8-11-17(24-3)20(14)19(13)15/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0160	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 human melatonin receptor type 1A, 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 1A (Homo sapiens (Human))	BDBM50093263 (CHEMBL133416 | Cyclopropanecarboxylic acid (4,9-di...) Show SMILES COc1ccc2ccc(OC)c3C(CNC(=O)C4CC4)CCc1c23 Show InChI InChI=1S/C20H23NO3/c1-23-16-9-6-12-7-10-17(24-2)19-14(5-8-15(16)18(12)19)11-21-20(22)13-3-4-13/h6-7,9-10,13-14H,3-5,8,11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0260	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 human melatonin receptor type 1A, 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 1C (Gallus gallus)	BDBM50230657 (CHEMBL290493) Show SMILES CCCC(=O)NCCc1cccc2ccc(OC)cc12 Show InChI InChI=1S/C17H21NO2/c1-3-5-17(19)18-11-10-14-7-4-6-13-8-9-15(20-2)12-16(13)14/h4,6-9,12H,3,5,10-11H2,1-2H3,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0295	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 Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand				J Med Chem 40: 739-48 (1997) Article DOI: 10.1021/jm960680+ BindingDB Entry DOI: 10.7270/Q2WQ06H4
					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 1A (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	0.0300	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 human melatonin receptor type 1A, 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 1A (Homo sapiens (Human))	BDBM50425202 (CHEMBL2314259) Show SMILES COc1ccc2ccc(OC)c(\C=C\NC(C)=O)c2c1 Show InChI InChI=1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+	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 MT1 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 1C (Gallus gallus)	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0324	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 Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand				J Med Chem 40: 739-48 (1997) Article DOI: 10.1021/jm960680+ BindingDB Entry DOI: 10.7270/Q2WQ06H4
					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 1A (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	0.0400	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 MT1 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 1C (Gallus gallus)	BDBM50470184 (CHEMBL304203) Show SMILES COc1ccc2ccc(OC)c(CCNC(=O)C3CC3)c2c1 Show InChI InChI=1S/C18H21NO3/c1-21-14-7-5-12-6-8-17(22-2)15(16(12)11-14)9-10-19-18(20)13-3-4-13/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes				J Med Chem 38: 2050-60 (1995) Article DOI: 10.1021/jm00012a004 BindingDB Entry DOI: 10.7270/Q2ZS307H
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50093272 (CHEMBL129890 | N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-...) Show SMILES CCCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23 Show InChI InChI=1S/C21H27NO3/c1-4-5-19(23)22-13-12-15-6-9-16-17(24-2)10-7-14-8-11-18(25-3)21(15)20(14)16/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0570	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 human melatonin receptor type 1A, 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 1A (Homo sapiens (Human))	BDBM50425200 (CHEMBL2314253) Show SMILES COc1ccc2ccc(OC)c([C@@H]3C[C@H]3NC(C)=O)c2c1 |r| Show InChI InChI=1S/C17H19NO3/c1-10(19)18-15-9-14(15)17-13-8-12(20-2)6-4-11(13)5-7-16(17)21-3/h4-8,14-15H,9H2,1-3H3,(H,18,19)/t14-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0600	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 MT1 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))	BDBM50093262 (CHEMBL131252 | N-(9-Methoxy-2,3-dihydro-1H-phenale...) Show SMILES CCCC(=O)NCC1CCc2cccc3ccc(OC)c1c23 Show InChI InChI=1S/C19H23NO2/c1-3-5-17(21)20-12-15-9-8-13-6-4-7-14-10-11-16(22-2)19(15)18(13)14/h4,6-7,10-11,15H,3,5,8-9,12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0690	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 1A (Homo sapiens (Human))	BDBM50093289 (CHEMBL337024 | N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-...) Show SMILES CCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23 Show InChI InChI=1S/C20H25NO3/c1-4-18(22)21-12-11-14-5-8-15-16(23-2)9-6-13-7-10-17(24-3)20(14)19(13)15/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0700	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 human melatonin receptor type 1A, 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))	BDBM50425202 (CHEMBL2314259) Show SMILES COc1ccc2ccc(OC)c(\C=C\NC(C)=O)c2c1 Show InChI InChI=1S/C16H17NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-10H,1-3H3,(H,17,18)/b9-8+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	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 1C (Gallus gallus)	BDBM50035202 (CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...) Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12 Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes				J Med Chem 38: 2050-60 (1995) Article DOI: 10.1021/jm00012a004 BindingDB Entry DOI: 10.7270/Q2ZS307H
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50035202 (CHEMBL291857 | N-[2-(2,7-Dimethoxy-naphthalen-1-yl...) Show SMILES CCC(=O)NCCc1c(OC)ccc2ccc(OC)cc12 Show InChI InChI=1S/C17H21NO3/c1-4-17(19)18-10-9-14-15-11-13(20-2)7-5-12(15)6-8-16(14)21-3/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0724	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 Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand				J Med Chem 40: 739-48 (1997) Article DOI: 10.1021/jm960680+ BindingDB Entry DOI: 10.7270/Q2WQ06H4
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50093273 (CHEMBL130542 | N-(8-Methoxy-acenaphthen-1-ylmethyl...) Show SMILES CCC(=O)NCC1Cc2cccc3ccc(OC)c1c23 Show InChI InChI=1S/C17H19NO2/c1-3-15(19)18-10-13-9-12-6-4-5-11-7-8-14(20-2)17(13)16(11)12/h4-8,13H,3,9-10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0850	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))	BDBM50425201 (CHEMBL2314257) Show SMILES COc1ccc2ccccc2c1\C=C\NC(C)=O Show InChI InChI=1S/C15H15NO2/c1-11(17)16-10-9-14-13-6-4-3-5-12(13)7-8-15(14)18-2/h3-10H,1-2H3,(H,16,17)/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	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))	BDBM50093280 (CHEMBL337882 | N-Acenaphthen-1-ylmethyl-butyramide) Show SMILES CCCC(=O)NCC1Cc2cccc3cccc1c23 Show InChI InChI=1S/C17H19NO/c1-2-5-16(19)18-11-14-10-13-8-3-6-12-7-4-9-15(14)17(12)13/h3-4,6-9,14H,2,5,10-11H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0930	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))	BDBM50093275 (CHEMBL132802 | N-(9-Methoxy-2,3-dihydro-1H-phenale...) Show SMILES COc1ccc2cccc3CCC(CNC(C)=O)c1c23 Show InChI InChI=1S/C17H19NO2/c1-11(19)18-10-14-7-6-12-4-3-5-13-8-9-15(20-2)17(14)16(12)13/h3-5,8-9,14H,6-7,10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0940	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 1A (Homo sapiens (Human))	BDBM50093273 (CHEMBL130542 | N-(8-Methoxy-acenaphthen-1-ylmethyl...) Show SMILES CCC(=O)NCC1Cc2cccc3ccc(OC)c1c23 Show InChI InChI=1S/C17H19NO2/c1-3-15(19)18-10-13-9-12-6-4-5-11-7-8-14(20-2)17(13)16(11)12/h4-8,13H,3,9-10H2,1-2H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.100	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 human melatonin receptor type 1A, 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 1A (Homo sapiens (Human))	BDBM50093277 (CHEMBL132340 | N-[2-(9-Methoxy-2,3-dihydro-1H-phen...) Show SMILES COc1ccc2cccc3CCC(CCNC(C)=O)c1c23 Show InChI InChI=1S/C18H21NO2/c1-12(20)19-11-10-15-7-6-13-4-3-5-14-8-9-16(21-2)18(15)17(13)14/h3-5,8-9,15H,6-7,10-11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	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 human melatonin receptor type 1A, 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 1C (Gallus gallus)	BDBM50470187 (CHEMBL428882) Show SMILES COc1ccc2ccc(OC)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C16H19NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-7,10H,8-9H2,1-3H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	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 Inhibition of 2-[125I]- iodomelatonin from chicken brain melatonin receptors				J Med Chem 42: 1100-5 (1999) Article DOI: 10.1021/jm9804937 BindingDB Entry DOI: 10.7270/Q28G8PDM
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50093279 (CHEMBL340832 | N-(4,9-Dimethoxy-2,3-dihydro-1H-phe...) Show SMILES CCCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23 Show InChI InChI=1S/C20H25NO3/c1-4-5-18(22)21-12-14-6-9-15-16(23-2)10-7-13-8-11-17(24-3)20(14)19(13)15/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.100	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 1A (Homo sapiens (Human))	BDBM50425201 (CHEMBL2314257) Show SMILES COc1ccc2ccccc2c1\C=C\NC(C)=O Show InChI InChI=1S/C15H15NO2/c1-11(17)16-10-9-14-13-6-4-3-5-12(13)7-8-15(14)18-2/h3-10H,1-2H3,(H,16,17)/b10-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	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 MT1 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))	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 Article PubMed	0.100	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 1A (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 PDB Article PubMed	0.100	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 MT1 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				3D Structure (crystal)
Melatonin receptor type 1C (Gallus gallus)	BDBM50470187 (CHEMBL428882) Show SMILES COc1ccc2ccc(OC)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C16H19NO3/c1-11(18)17-9-8-14-15-10-13(19-2)6-4-12(15)5-7-16(14)20-3/h4-7,10H,8-9H2,1-3H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Competitive binding by the displacement of 2-[125I]- Iodomelatonin binding from melatonin receptors in chicken brain membranes				J Med Chem 38: 2050-60 (1995) Article DOI: 10.1021/jm00012a004 BindingDB Entry DOI: 10.7270/Q2ZS307H
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50093266 (CHEMBL131424 | N-(4-Methoxy-2,3-dihydro-1H-phenale...) Show SMILES CCCC(=O)NCC1CCc2c(OC)ccc3cccc1c23 Show InChI InChI=1S/C19H23NO2/c1-3-5-18(21)20-12-14-8-10-16-17(22-2)11-9-13-6-4-7-15(14)19(13)16/h4,6-7,9,11,14H,3,5,8,10,12H2,1-2H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.110	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))	BDBM50093290 (CHEMBL130490 | N-(8-Methoxy-acenaphthen-1-ylmethyl...) Show SMILES COc1ccc2cccc3CC(CNC(C)=O)c1c23 Show InChI InChI=1S/C16H17NO2/c1-10(18)17-9-13-8-12-5-3-4-11-6-7-14(19-2)16(13)15(11)12/h3-7,13H,8-9H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.120	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 1A (Homo sapiens (Human))	BDBM50093290 (CHEMBL130490 | N-(8-Methoxy-acenaphthen-1-ylmethyl...) Show SMILES COc1ccc2cccc3CC(CNC(C)=O)c1c23 Show InChI InChI=1S/C16H17NO2/c1-10(18)17-9-13-8-12-5-3-4-11-6-7-14(19-2)16(13)15(11)12/h3-7,13H,8-9H2,1-2H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.120	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 human melatonin receptor type 1A, 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 1C (Gallus gallus)	BDBM50470007 (CHEMBL322269) Show SMILES COc1ccc2cccc(CCNC(=O)CBr)c2c1 Show InChI InChI=1S/C15H16BrNO2/c1-19-13-6-5-11-3-2-4-12(14(11)9-13)7-8-17-15(18)10-16/h2-6,9H,7-8,10H2,1H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	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 Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand				J Med Chem 40: 739-48 (1997) Article DOI: 10.1021/jm960680+ BindingDB Entry DOI: 10.7270/Q2WQ06H4
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50093288 (CHEMBL129889 | N-(4-Methoxy-2,3-dihydro-1H-phenale...) Show SMILES CCC(=O)NCC1CCc2c(OC)ccc3cccc1c23 Show InChI InChI=1S/C18H21NO2/c1-3-17(20)19-11-13-7-9-15-16(21-2)10-8-12-5-4-6-14(13)18(12)15/h4-6,8,10,13H,3,7,9,11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.130	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 1C (Gallus gallus)	BDBM50470000 (CHEMBL111599) Show SMILES CCCC(=O)NCCc1c[nH]c2cc(F)c(OC)cc12 Show InChI InChI=1S/C15H19FN2O2/c1-3-4-15(19)17-6-5-10-9-18-13-8-12(16)14(20-2)7-11(10)13/h7-9,18H,3-6H2,1-2H3,(H,17,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.141	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 Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand				J Med Chem 40: 739-48 (1997) Article DOI: 10.1021/jm960680+ BindingDB Entry DOI: 10.7270/Q2WQ06H4
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50093286 (CHEMBL336509 | N-(4,9-Dimethoxy-2,3-dihydro-1H-phe...) Show SMILES COc1ccc2ccc(OC)c3C(CNC(C)=O)CCc1c23 Show InChI InChI=1S/C18H21NO3/c1-11(20)19-10-13-4-7-14-15(21-2)8-5-12-6-9-16(22-3)18(13)17(12)14/h5-6,8-9,13H,4,7,10H2,1-3H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.145	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
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50282053 (4-Amino-2-(1-aza-bicyclo[2.2.2]oct-3-yl)-benzo[de]...) Show SMILES Nc1ccc2cccc3C(=O)N(C4CN5CCC4CC5)C(=O)c1c23 |(5.72,-7.54,;4.39,-6.77,;3.04,-7.54,;1.71,-6.77,;1.71,-5.23,;.38,-4.46,;.38,-2.92,;1.71,-2.15,;3.04,-2.92,;4.37,-2.15,;4.37,-.61,;5.72,-2.92,;7.05,-2.15,;8.38,-2.92,;9.71,-2.15,;9.71,-.61,;8.38,.16,;7.03,-.61,;7.8,-1.94,;8.89,-.85,;5.72,-4.46,;7.05,-5.23,;4.37,-5.23,;3.04,-4.46,)| Show InChI InChI=1S/C19H19N3O2/c20-14-5-4-12-2-1-3-13-16(12)17(14)19(24)22(18(13)23)15-10-21-8-6-11(15)7-9-21/h1-5,11,15H,6-10,20H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity at 5-hydroxytryptamine 3 receptor in rat entorhinal cortex by [3H]-BRL-43694 displacement.				Bioorg Med Chem Lett 3: 1555-1558 (1993) Article DOI: 10.1016/S0960-894X(00)80017-7 BindingDB Entry DOI: 10.7270/Q2J38SHW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A/3B (Rattus norvegicus-RAT)	BDBM50280507 (6-Amino-2-(R)-1-aza-bicyclo[2.2.2]oct-3-yl-benzo[d...) Show SMILES Nc1ccc2C(=O)N([C@H]3CN4CCC3CC4)C(=O)c3cccc1c23 |wD:8.7,(4.27,-3.19,;5.81,-3.2,;6.51,-1.84,;8.05,-1.76,;8.86,-3.03,;10.43,-2.92,;11.1,-1.55,;11.27,-4.23,;12.8,-4.15,;13.62,-5.45,;15.16,-5.37,;15.86,-3.99,;15.02,-2.7,;13.48,-2.77,;13.88,-4.27,;14.88,-3.8,;10.54,-5.63,;11.41,-6.91,;9,-5.71,;8.31,-7.06,;6.77,-7.14,;5.93,-5.85,;6.65,-4.46,;8.17,-4.41,)| Show InChI InChI=1S/C19H19N3O2/c20-15-5-4-14-17-12(15)2-1-3-13(17)18(23)22(19(14)24)16-10-21-8-6-11(16)7-9-21/h1-5,11,16H,6-10,20H2/t16-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to 5-hydroxytryptamine 3 receptor in rat entorhinal cortex using [3H]-BRL 43694 as radioligand				Bioorg Med Chem Lett 4: 945-948 (1994) Article DOI: 10.1016/S0960-894X(01)80269-9 BindingDB Entry DOI: 10.7270/Q20V8D8T
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (RAT)	BDBM29525 (3H-GR113808 | CHEMBL518682 | GR 113808 | [3H] GR 1...) Show SMILES Cn1cc(C(=O)OCC2CCN(CCNS(C)(=O)=O)CC2)c2ccccc12 Show InChI InChI=1S/C19H27N3O4S/c1-21-13-17(16-5-3-4-6-18(16)21)19(23)26-14-15-7-10-22(11-8-15)12-9-20-27(2,24)25/h3-6,13,15,20H,7-12,14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 4 receptor was determined in rat striatal membranes using [3H]GR-113808 as radioligand				J Med Chem 40: 608-21 (1997) Article DOI: 10.1021/jm960320m BindingDB Entry DOI: 10.7270/Q2T72J36
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50093293 (CHEMBL336054 | N-(4,9-Dimethoxy-2,3-dihydro-1H-phe...) Show SMILES CCC(=O)NCC1CCc2c(OC)ccc3ccc(OC)c1c23 Show InChI InChI=1S/C19H23NO3/c1-4-17(21)20-11-13-5-8-14-15(22-2)9-6-12-7-10-16(23-3)19(13)18(12)14/h6-7,9-10,13H,4-5,8,11H2,1-3H3,(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.153	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 1C (Gallus gallus)	BDBM50470172 (CHEMBL294517) Show SMILES CCC(=O)NCCc1c(OC)ccc2ccccc12 Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-11-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9H,3,10-11H2,1-2H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Effect of compound on Melatonin receptor in chicken brain in the presence of MnCl2				J Med Chem 38: 2050-60 (1995) Article DOI: 10.1021/jm00012a004 BindingDB Entry DOI: 10.7270/Q2ZS307H
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	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)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Effect of compound on Melatonin receptor in chicken brain in the presence of MnCl2				J Med Chem 38: 2050-60 (1995) Article DOI: 10.1021/jm00012a004 BindingDB Entry DOI: 10.7270/Q2ZS307H
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (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 PDB PubMed	0.180	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 human melatonin receptor type 1A, 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				3D Structure (crystal)
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50093269 (CHEMBL338425 | N-(2,3-Dihydro-1H-phenalen-1-ylmeth...) Show SMILES CCCC(=O)NCC1CCc2cccc3cccc1c23 Show InChI InChI=1S/C18H21NO/c1-2-5-17(20)19-12-15-11-10-14-7-3-6-13-8-4-9-16(15)18(13)14/h3-4,6-9,15H,2,5,10-12H2,1H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.180	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 1C (Gallus gallus)	BDBM50408556 (CHEMBL37771) Show SMILES CCC(=O)NCCc1cccc2ccc(OC)cc12 Show InChI InChI=1S/C16H19NO2/c1-3-16(18)17-10-9-13-6-4-5-12-7-8-14(19-2)11-15(12)13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.182	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 Binding affinity against chicken brain melatonin receptors using 2-[125I]iodomelatonin as radioligand				J Med Chem 40: 739-48 (1997) Article DOI: 10.1021/jm960680+ BindingDB Entry DOI: 10.7270/Q2WQ06H4
					More data for this Ligand-Target Pair

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