BDBM50315169 CHEMBL1092839::N-(3-(5-methoxy-2-(4-methoxybenzyloxy)phenyl)propyl)acetamide

SMILES: COc1ccc(COc2ccc(OC)cc2CCCNC(C)=O)cc1

InChI Key: InChIKey=RLVPHFBUVJEKFI-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50315169   

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))	BDBM50315169 (CHEMBL1092839 | N-(3-(5-methoxy-2-(4-methoxybenzyl...) Show SMILES COc1ccc(COc2ccc(OC)cc2CCCNC(C)=O)cc1 Show InChI InChI=1S/C20H25NO4/c1-15(22)21-12-4-5-17-13-19(24-3)10-11-20(17)25-14-16-6-8-18(23-2)9-7-16/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,22)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]melatonin from human melatonin MT2 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2582-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.084 BindingDB Entry DOI: 10.7270/Q2S75GG4
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50315169 (CHEMBL1092839 | N-(3-(5-methoxy-2-(4-methoxybenzyl...) Show SMILES COc1ccc(COc2ccc(OC)cc2CCCNC(C)=O)cc1 Show InChI InChI=1S/C20H25NO4/c1-15(22)21-12-4-5-17-13-19(24-3)10-11-20(17)25-14-16-6-8-18(23-2)9-7-16/h6-11,13H,4-5,12,14H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hong Kong University of Science and Technology Curated by ChEMBL					Assay Description Displacement of [3H]melatonin from human melatonin MT1 receptor expressed in CHO cells after 60 mins by scintillation counting				Bioorg Med Chem Lett 20: 2582-5 (2010) Article DOI: 10.1016/j.bmcl.2010.02.084 BindingDB Entry DOI: 10.7270/Q2S75GG4
					More data for this Ligand-Target Pair