BDBM50114716 CHEMBL329263::N-[2-(2-Benzyl-5-methoxy-benzofuran-3-yl)-ethyl]-acetamide
SMILES: COc1ccc2oc(Cc3ccccc3)c(CCNC(C)=O)c2c1
InChI Key: InChIKey=URBHHEGXYAFBNW-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)) | BDBM50114716 (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) | 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 |
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) BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50114716 (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) | 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 (Homo sapiens (Human)) | BDBM50114716 (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) | 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 (Homo sapiens (Human)) | BDBM50114716 (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) | 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 | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50114716 (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.30 | 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 MT1 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 (Homo sapiens (Human)) | BDBM50114716 (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.30 | 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 KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins... | J Med Chem 59: 810-40 (2016) BindingDB Entry DOI: 10.7270/Q2XS5X8K | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50114716 (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0158 | 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 | |||||||||||||
Melatonin receptor (Homo sapiens (Human)) | BDBM50114716 (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL | Assay Description Intrinsic activity at human Melatonin receptor type 1B evaluated on [35S]-GTP-gammaS, binding in Chinese hamster ovarian (CHO) cells | 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)) | BDBM50114716 (CHEMBL329263 | N-[2-(2-Benzyl-5-methoxy-benzofuran...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a |
Institut de Chimie Pharmaceutique Albert Lespagnol Curated by ChEMBL | Assay Description Intrinsic activity evaluated on [35S]-GTP -gamma-S binding in Chinese hamster ovarian (CHO) cells, stably expressing human Melatonin receptor type 1A | J Med Chem 45: 2788-800 (2002) BindingDB Entry DOI: 10.7270/Q2Q52P0W | |||||||||||
More data for this Ligand-Target Pair |