BDBM50315180 CHEMBL1092062::N-(3-(2-hydroxy-5-methoxyphenyl)propyl)acetamide

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

InChI Key: InChIKey=OMOWUWLCRNGXCM-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 = 50315180   

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))	BDBM50315180 (CHEMBL1092062 | N-(3-(2-hydroxy-5-methoxyphenyl)pr...) Show SMILES COc1ccc(O)c(CCCNC(C)=O)c1 Show InChI InChI=1S/C12H17NO3/c1-9(14)13-7-3-4-10-8-11(16-2)5-6-12(10)15/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	46.2	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))	BDBM50315180 (CHEMBL1092062 | N-(3-(2-hydroxy-5-methoxyphenyl)pr...) Show SMILES COc1ccc(O)c(CCCNC(C)=O)c1 Show InChI InChI=1S/C12H17NO3/c1-9(14)13-7-3-4-10-8-11(16-2)5-6-12(10)15/h5-6,8,15H,3-4,7H2,1-2H3,(H,13,14)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	379	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