BDBM50114715 CHEMBL317742::N-{2-[5-Methoxy-2-(4-methoxy-benzyl)-benzofuran-3-yl]-ethyl}-acetamide

SMILES: COc1ccc(Cc2oc3ccc(OC)cc3c2CCNC(C)=O)cc1

InChI Key: InChIKey=OYSSILXTMOYKFA-UHFFFAOYSA-N

Data: 2 KI  2 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50114715   

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))	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
Melatonin receptor (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	24	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))	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	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 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
Melatonin receptor (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	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