Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'wallez' and Initial = 'v'   

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 1A (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	0.0100	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 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...				J Med Chem 45: 2788-800 (2002) BindingDB Entry DOI: 10.7270/Q2Q52P0W
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (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	0.0100	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 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...				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))	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 1A (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	0.0200	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 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...				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))	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	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 1A (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 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...				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))	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))	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))	BDBM50114707 (But-3-enoic acid [2-(2-benzyl-5-methoxy-benzofuran...) Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)CC=C)c2c1 Show InChI InChI=1S/C22H23NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h3-6,8-11,15H,1,7,12-14H2,2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.0600	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))	BDBM50114701 (But-3-enoic acid {2-[5-methoxy-2-(3-methoxy-benzyl...) Show SMILES COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(=O)CC=C)c1 Show InChI InChI=1S/C23H25NO4/c1-4-6-23(25)24-12-11-19-20-15-18(27-3)9-10-21(20)28-22(19)14-16-7-5-8-17(13-16)26-2/h4-5,7-10,13,15H,1,6,11-12,14H2,2-3H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.110	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 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 PubMed	0.120	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 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...				J Med Chem 45: 2788-800 (2002) BindingDB Entry DOI: 10.7270/Q2Q52P0W
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.150	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 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...				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))	BDBM50114712 (CHEMBL96859 | N-[2-(2-Benzyl-5-methoxy-benzofuran-...) Show SMILES CCCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12 Show InChI InChI=1S/C22H25NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.200	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))	BDBM50114720 (But-2-enoic acid [2-(5-methoxy-2-phenyl-benzofuran...) Show SMILES COc1ccc2oc(c(CCNC(=O)\C=C\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/h3-11,14H,12-13H2,1-2H3,(H,22,23)/b7-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.210	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))	BDBM50114714 (CHEMBL94607 | N-{2-[2-(3-Chloro-benzyl)-5-methoxy-...) Show SMILES COc1ccc2oc(Cc3cccc(Cl)c3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H20ClNO3/c1-13(23)22-9-8-17-18-12-16(24-2)6-7-19(18)25-20(17)11-14-4-3-5-15(21)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.220	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))	BDBM50114730 (CHEMBL95166 | N-{2-[2-(3-Fluoro-benzyl)-5-methoxy-...) Show SMILES COc1ccc2oc(Cc3cccc(F)c3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H20FNO3/c1-13(23)22-9-8-17-18-12-16(24-2)6-7-19(18)25-20(17)11-14-4-3-5-15(21)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.230	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))	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 PubMed	0.310	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))	BDBM50114704 (CHEMBL33549 | N-(2-(5-methoxy-2-(3-methoxybenzyl)b...) Show SMILES COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)c1 Show InChI InChI=1S/C21H23NO4/c1-14(23)22-10-9-18-19-13-17(25-3)7-8-20(19)26-21(18)12-15-5-4-6-16(11-15)24-2/h4-8,11,13H,9-10,12H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.320	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))	BDBM50114702 (CHEMBL329960 | N-{2-[5-Methoxy-2-(2-methoxy-benzyl...) Show SMILES COc1ccc2oc(Cc3ccccc3OC)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C21H23NO4/c1-14(23)22-11-10-17-18-13-16(24-2)8-9-20(18)26-21(17)12-15-6-4-5-7-19(15)25-3/h4-9,13H,10-12H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.340	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))	BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) Show SMILES COc1ccc2occ(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H15NO3/c1-9(15)14-6-5-10-8-17-13-4-3-11(16-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.340	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))	BDBM50114709 (1-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-3...) Show SMILES CNC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12 Show InChI InChI=1S/C20H22N2O3/c1-21-20(23)22-11-10-16-17-13-15(24-2)8-9-18(17)25-19(16)12-14-6-4-3-5-7-14/h3-9,13H,10-12H2,1-2H3,(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.350	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))	BDBM50114721 (CHEMBL328617 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)CI)c2c1 Show InChI InChI=1S/C20H20INO3/c1-24-15-7-8-18-17(12-15)16(9-10-22-20(23)13-21)19(25-18)11-14-5-3-2-4-6-14/h2-8,12H,9-11,13H2,1H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.410	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))	BDBM50114715 (CHEMBL317742 | N-{2-[5-Methoxy-2-(4-methoxy-benzyl...) Show SMILES COc1ccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)cc1 Show InChI InChI=1S/C21H23NO4/c1-14(23)22-11-10-18-19-13-17(25-3)8-9-20(19)26-21(18)12-15-4-6-16(24-2)7-5-15/h4-9,13H,10-12H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50374600 (CHEMBL272899) Show SMILES CCCc1ccc2n(CCN3CCCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-3-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		0.560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM93151 (3-(1-piperidinoethyl)-6-propylbenzothiazoline-2-on...) Show SMILES CCC(=C)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C18H24N2OS/c1-3-14(2)15-7-8-16-17(13-15)22-18(21)20(16)12-11-19-9-5-4-6-10-19/h7-8,13H,2-6,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50063800 (3-(2-Piperidin-1-yl-ethyl)-6-propyl-3H-benzothiazo...) Show SMILES CCCc1ccc2n(CCN3CCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C17H24N2OS/c1-2-6-14-7-8-15-16(13-14)21-17(20)19(15)12-11-18-9-4-3-5-10-18/h7-8,13H,2-6,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114719 (CHEMBL96548 | N-[2-(2-Benzyl-5-methoxy-benzofuran-...) Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)C=C)c2c1 Show InChI InChI=1S/C21H21NO3/c1-3-21(23)22-12-11-17-18-14-16(24-2)9-10-19(18)25-20(17)13-15-7-5-4-6-8-15/h3-10,14H,1,11-13H2,2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.690	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 1A (Homo sapiens (Human))	BDBM50114730 (CHEMBL95166 | N-{2-[2-(3-Fluoro-benzyl)-5-methoxy-...) Show SMILES COc1ccc2oc(Cc3cccc(F)c3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H20FNO3/c1-13(23)22-9-8-17-18-12-16(24-2)6-7-19(18)25-20(17)11-14-4-3-5-15(21)10-14/h3-7,10,12H,8-9,11H2,1-2H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.75	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 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...				J Med Chem 45: 2788-800 (2002) BindingDB Entry DOI: 10.7270/Q2Q52P0W
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50114720 (But-2-enoic acid [2-(5-methoxy-2-phenyl-benzofuran...) Show SMILES COc1ccc2oc(c(CCNC(=O)\C=C\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/h3-11,14H,12-13H2,1-2H3,(H,22,23)/b7-3+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.01	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 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...				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))	BDBM50114700 (CHEMBL314947 | N-{2-[5-Methoxy-2-(3-trifluoromethy...) Show SMILES COc1ccc2oc(Cc3cccc(c3)C(F)(F)F)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C21H20F3NO3/c1-13(26)25-9-8-17-18-12-16(27-2)6-7-19(18)28-20(17)11-14-4-3-5-15(10-14)21(22,23)24/h3-7,10,12H,8-9,11H2,1-2H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.17	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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM93155 (6-(but-1-en-2-yl)-3-[3-(piperidin-1-yl)propyl]-2,3...) Show SMILES CCC(=C)c1ccc2n(CCCN3CCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C19H26N2OS/c1-3-15(2)16-8-9-17-18(14-16)23-19(22)21(17)13-7-12-20-10-5-4-6-11-20/h8-9,14H,2-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50487331 (CHEMBL2260851) Show SMILES CCCc1ccc2n(CCCN3CCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C18H26N2OS/c1-2-7-15-8-9-16-17(14-15)22-18(21)20(16)13-6-12-19-10-4-3-5-11-19/h8-9,14H,2-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (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	1.27	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 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...				J Med Chem 45: 2788-800 (2002) BindingDB Entry DOI: 10.7270/Q2Q52P0W
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50487332 (CHEMBL2260849) Show SMILES CN(C[C@@H]1C[C@@]1(CO)c1ccccc1)C12CC3CC(CC(C3)C1)C2 |r,TLB:1:14:17.16.21:19,THB:22:14:17:21.20.19,22:20:17:23.15.14,15:16:19:23.14.22,15:14:17.16.21:19| Show InChI InChI=1S/C22H31NO/c1-23(21-10-16-7-17(11-21)9-18(8-16)12-21)14-20-13-22(20,15-24)19-5-3-2-4-6-19/h2-6,16-18,20,24H,7-15H2,1H3/t16?,17?,18?,20-,21?,22+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50108653 (1'-benzyl-3-methoxyspiro[3,4-dihydro-1H-isochromen...) Show SMILES COC1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1 Show InChI InChI=1S/C21H25NO2/c1-23-20-15-18-9-5-6-10-19(18)21(24-20)11-13-22(14-12-21)16-17-7-3-2-4-8-17/h2-10,20H,11-16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM93157 (3-{2-[(3aR,6aS)-3a,6a-dimethyl-octahydrocyclopenta...) Show SMILES CCCc1ccc2n(CCN3C[C@@]4(C)CCC[C@@]4(C)C3)c(=O)sc2c1 |r| Show InChI InChI=1S/C21H30N2OS/c1-4-6-16-7-8-17-18(13-16)25-19(24)23(17)12-11-22-14-20(2)9-5-10-21(20,3)15-22/h7-8,13H,4-6,9-12,14-15H2,1-3H3/t20-,21+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114713 (CHEMBL98074 | N-{2-[5-Methoxy-2-(3-phenyl-propyl)-...) Show SMILES COc1ccc2oc(CCCc3ccccc3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H25NO3/c1-16(24)23-14-13-19-20-15-18(25-2)11-12-22(20)26-21(19)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,11-12,15H,6,9-10,13-14H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.52	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))	BDBM50114729 (CHEMBL96420 | Furan-2-carboxylic acid [2-(5-methox...) Show SMILES COc1ccc2oc(c(CCNC(=O)c3ccco3)c2c1)-c1ccccc1 Show InChI InChI=1S/C22H19NO4/c1-25-16-9-10-19-18(14-16)17(21(27-19)15-6-3-2-4-7-15)11-12-23-22(24)20-8-5-13-26-20/h2-10,13-14H,11-12H2,1H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70	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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM93152 (3-(1-piperidinopropyl)-6-propanoylbenzothiazolin-2...) Show SMILES CCC(=O)c1ccc2n(CCCN3CCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C18H24N2O2S/c1-2-16(21)14-7-8-15-17(13-14)23-18(22)20(15)12-6-11-19-9-4-3-5-10-19/h7-8,13H,2-6,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114710 (CHEMBL329299 | N-[2-(2-Cyclohexylmethyl-5-methoxy-...) Show SMILES COc1ccc2oc(CC3CCCCC3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H27NO3/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/h8-9,13,15H,3-7,10-12H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.49	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))	BDBM50114706 (CHEMBL96916 | N-{2-[5-Methoxy-2-(3-methoxy-benzyl)...) Show SMILES COc1cccc(Cc2oc3ccc(OC)cc3c2CCNC(=O)C=C)c1 Show InChI InChI=1S/C22H23NO4/c1-4-22(24)23-11-10-18-19-14-17(26-3)8-9-20(19)27-21(18)13-15-6-5-7-16(12-15)25-2/h4-9,12,14H,1,10-11,13H2,2-3H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.76	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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50487333 (CHEMBL2260852) Show SMILES CCCc1ccc2n(CCCCN3CCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C19H28N2OS/c1-2-8-16-9-10-17-18(15-16)23-19(22)21(17)14-7-6-13-20-11-4-3-5-12-20/h9-10,15H,2-8,11-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM93156 (6-(but-1-en-2-yl)-3-[4-(piperidin-1-yl)butyl]-2,3-...) Show SMILES CCC(=C)c1ccc2n(CCCCN3CCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C20H28N2OS/c1-3-16(2)17-9-10-18-19(15-17)24-20(23)22(18)14-8-7-13-21-11-5-4-6-12-21/h9-10,15H,2-8,11-14H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50114727 (CHEMBL315653 | N-[2-(2-Benzyl-5-hexyloxy-benzofura...) Show SMILES CCCCCCOc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C25H31NO3/c1-3-4-5-9-16-28-21-12-13-24-23(18-21)22(14-15-26-19(2)27)25(29-24)17-20-10-7-6-8-11-20/h6-8,10-13,18H,3-5,9,14-17H2,1-2H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.21	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 1A (Homo sapiens (Human))	BDBM50114712 (CHEMBL96859 | N-[2-(2-Benzyl-5-methoxy-benzofuran-...) Show SMILES CCCC(=O)NCCc1c(Cc2ccccc2)oc2ccc(OC)cc12 Show InChI InChI=1S/C22H25NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h4-6,8-11,15H,3,7,12-14H2,1-2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.29	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 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...				J Med Chem 45: 2788-800 (2002) BindingDB Entry DOI: 10.7270/Q2Q52P0W
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM50114707 (But-3-enoic acid [2-(2-benzyl-5-methoxy-benzofuran...) Show SMILES COc1ccc2oc(Cc3ccccc3)c(CCNC(=O)CC=C)c2c1 Show InChI InChI=1S/C22H23NO3/c1-3-7-22(24)23-13-12-18-19-15-17(25-2)10-11-20(19)26-21(18)14-16-8-5-4-6-9-16/h3-6,8-11,15H,1,7,12-14H2,2H3,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.51	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 1A stably transfected in human embryonic kidney (HEK 293) using 2-[125I]-iodomelatonin as radioliga...				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))	BDBM50114726 (CHEMBL94745 | N-[2-(5-Methoxy-2-pyridin-3-ylmethyl...) Show SMILES COc1ccc2oc(Cc3cccnc3)c(CCNC(C)=O)c2c1 Show InChI InChI=1S/C19H20N2O3/c1-13(22)21-9-7-16-17-11-15(23-2)5-6-18(17)24-19(16)10-14-4-3-8-20-12-14/h3-6,8,11-12H,7,9-10H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.53	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
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM93154 (3-(2-cyclohexylethyl)-6-(pent-1-en-2-yl)-2,3-dihyd...) Show SMILES CCCC(=C)c1ccc2n(CCN3CCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C19H26N2OS/c1-3-7-15(2)16-8-9-17-18(14-16)23-19(22)21(17)13-12-20-10-5-4-6-11-20/h8-9,14H,2-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars		3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Cavia porcellus (Guinea pig))	BDBM50487334 (CHEMBL2260850) Show SMILES CCCCc1ccc2n(CCN3CCCCC3)c(=O)sc2c1 Show InChI InChI=1S/C18H26N2OS/c1-2-3-7-15-8-9-16-17(14-15)22-18(21)20(16)13-12-19-10-5-4-6-11-19/h8-9,14H,2-7,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universite de Lille					Assay Description Binding assay using sigma receptors.				Medicinal Chemistry Research 14: 158-168 (2005) BindingDB Entry DOI: 10.7270/Q2S75DZK
					More data for this Ligand-Target Pair

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