BDBM50037242 CHEMBL323332::N-(2-(5-methoxybenzofuran-3-yl)ethyl)acetamide::N-[2-(5-Methoxy-benzofuran-3-yl)-ethyl]-acetamide
SMILES: COc1ccc2occ(CCNC(C)=O)c2c1
InChI Key: InChIKey=BTVRPXLAXZPZPV-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Melatonin receptor (Homo sapiens (Human)) | BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) | 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 |
Universit£ d'Orl£ans Curated by ChEMBL | Assay Description Displacement of [125I]2-Iodomelatonin from human MT1 receptor expressed in HEK293 cells after 120 mins by radioligand competition assay | Eur J Med Chem 109: 268-75 (2016) BindingDB Entry DOI: 10.7270/Q2NC6318 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) | 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 (Homo sapiens (Human)) | BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) | 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 |
Universit£ de Lille Curated by ChEMBL | Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cell membranes after 120 mins | Eur J Med Chem 109: 360-70 (2016) BindingDB Entry DOI: 10.7270/Q2VM4F3T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) | 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 (Homo sapiens (Human)) | BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) | 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 |
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) BindingDB Entry DOI: 10.7270/Q2NC6318 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) | 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 |
Universit£ de Lille Curated by ChEMBL | Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cell membranes after 120 mins | Eur J Med Chem 109: 360-70 (2016) BindingDB Entry DOI: 10.7270/Q2VM4F3T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille Curated by ChEMBL | Assay Description Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells | Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Institut de Chimie Pharmaceutique Curated by ChEMBL | Assay Description Monophasic inhibitory concentration against melatonin receptor was measured on ovine pars tuberalis membrane. | J Med Chem 37: 3231-9 (1994) Article DOI: 10.1021/jm00046a006 BindingDB Entry DOI: 10.7270/Q2S75K1J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.58 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ d'Orl£ans Curated by ChEMBL | Assay Description Melatonin receptor type 1A binding affinity measured using 2-[125I]iodomelatonin on ovine pars tuberalis membrane homogenates. | J Med Chem 41: 4453-65 (1998) Article DOI: 10.1021/jm980026p BindingDB Entry DOI: 10.7270/Q2B27WHJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ribosyldihydronicotinamide dehydrogenase [quinone] (Homo sapiens (Human)) | BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 64.6 | n/a | n/a | n/a | n/a | n/a | n/a |
Lanzhou University Curated by ChEMBL | Assay Description Displacement of [125I]iodomelatonin from MT3/QR2 melatonin binding site expressed in CHO cells | Eur J Med Chem 43: 2861-9 (2008) Article DOI: 10.1016/j.ejmech.2008.02.012 BindingDB Entry DOI: 10.7270/Q21C1Z31 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | 0.859 | n/a | n/a | n/a | n/a | n/a |
Institut de Chimie Pharmaceutique Curated by ChEMBL | Assay Description Binding affinity to melatonin receptor measured on ovine pars tuberalis membrane | J Med Chem 37: 3231-9 (1994) Article DOI: 10.1021/jm00046a006 BindingDB Entry DOI: 10.7270/Q2S75K1J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50037242 (CHEMBL323332 | N-(2-(5-methoxybenzofuran-3-yl)ethy...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Lille Curated by ChEMBL | Assay Description Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in HEK293 cells | Bioorg Med Chem 16: 4954-62 (2008) Article DOI: 10.1016/j.bmc.2008.03.036 BindingDB Entry DOI: 10.7270/Q2JM29DN | |||||||||||
More data for this Ligand-Target Pair |