BDBM50049554 CHEMBL297947::N-(3-(3-methoxyphenyl)propyl)propionamide::N-[3-(3-Methoxy-phenyl)-propyl]-propionamide

SMILES: CCC(=O)NCCCc1cccc(OC)c1

InChI Key: InChIKey=VVTCACGOXCPEPB-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50049554   

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 type 1C (Gallus gallus)	BDBM50049554 (CHEMBL297947 | N-(3-(3-methoxyphenyl)propyl)propio...) Show SMILES CCC(=O)NCCCc1cccc(OC)c1 Show InChI InChI=1S/C13H19NO2/c1-3-13(15)14-9-5-7-11-6-4-8-12(10-11)16-2/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor in chicken brain.				J Med Chem 39: 1797-805 (1996) Article DOI: 10.1021/jm9508189 BindingDB Entry DOI: 10.7270/Q29026HC
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50049554 (CHEMBL297947 | N-(3-(3-methoxyphenyl)propyl)propio...) Show SMILES CCC(=O)NCCCc1cccc(OC)c1 Show InChI InChI=1S/C13H19NO2/c1-3-13(15)14-9-5-7-11-6-4-8-12(10-11)16-2/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.07	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))	BDBM50049554 (CHEMBL297947 | N-(3-(3-methoxyphenyl)propyl)propio...) Show SMILES CCC(=O)NCCCc1cccc(OC)c1 Show InChI InChI=1S/C13H19NO2/c1-3-13(15)14-9-5-7-11-6-4-8-12(10-11)16-2/h4,6,8,10H,3,5,7,9H2,1-2H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	85.4	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