BDBM50315175 CHEMBL1093457::N-(3-(3-methoxy-4-(3-methoxybenzyloxy)phenyl)propyl)acetamide

SMILES: COc1cccc(COc2ccc(CCCNC(C)=O)cc2OC)c1

InChI Key: InChIKey=RFHWEPWAIFIXJW-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 = 50315175   

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))	BDBM50315175 (CHEMBL1093457 | N-(3-(3-methoxy-4-(3-methoxybenzyl...) Show SMILES COc1cccc(COc2ccc(CCCNC(C)=O)cc2OC)c1 Show InChI InChI=1S/C20H25NO4/c1-15(22)21-11-5-7-16-9-10-19(20(13-16)24-3)25-14-17-6-4-8-18(12-17)23-2/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	105	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))	BDBM50315175 (CHEMBL1093457 | N-(3-(3-methoxy-4-(3-methoxybenzyl...) Show SMILES COc1cccc(COc2ccc(CCCNC(C)=O)cc2OC)c1 Show InChI InChI=1S/C20H25NO4/c1-15(22)21-11-5-7-16-9-10-19(20(13-16)24-3)25-14-17-6-4-8-18(12-17)23-2/h4,6,8-10,12-13H,5,7,11,14H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.46E+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