BDBM50315165 CHEMBL1092400::N-(3-(2,5-dimethoxyphenyl)propyl)acetamide

SMILES: COc1ccc(OC)c(CCCNC(C)=O)c1

InChI Key: InChIKey=JFAQPXCGWLODGO-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 = 50315165   

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))	BDBM50315165 (CHEMBL1092400 | N-(3-(2,5-dimethoxyphenyl)propyl)a...) Show SMILES COc1ccc(OC)c(CCCNC(C)=O)c1 Show InChI InChI=1S/C13H19NO3/c1-10(15)14-8-4-5-11-9-12(16-2)6-7-13(11)17-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26.1	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))	BDBM50315165 (CHEMBL1092400 | N-(3-(2,5-dimethoxyphenyl)propyl)a...) Show SMILES COc1ccc(OC)c(CCCNC(C)=O)c1 Show InChI InChI=1S/C13H19NO3/c1-10(15)14-8-4-5-11-9-12(16-2)6-7-13(11)17-3/h6-7,9H,4-5,8H2,1-3H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.28E+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