BDBM50093298 CHEMBL336858::N-[2-(8-Methoxy-acenaphthen-1-yl)-ethyl]-propionamide

SMILES: CCC(=O)NCCC1Cc2cccc3ccc(OC)c1c23

InChI Key: InChIKey=LSRNTGXPVWSDCK-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 = 50093298   

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))	BDBM50093298 (CHEMBL336858 | N-[2-(8-Methoxy-acenaphthen-1-yl)-e...) Show SMILES CCC(=O)NCCC1Cc2cccc3ccc(OC)c1c23 Show InChI InChI=1S/C18H21NO2/c1-3-16(20)19-10-9-14-11-13-6-4-5-12-7-8-15(21-2)18(14)17(12)13/h4-8,14H,3,9-11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity for human melatonin receptor type 1A, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)				J Med Chem 43: 4051-62 (2000) BindingDB Entry DOI: 10.7270/Q20Z72JX
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50093298 (CHEMBL336858 | N-[2-(8-Methoxy-acenaphthen-1-yl)-e...) Show SMILES CCC(=O)NCCC1Cc2cccc3ccc(OC)c1c23 Show InChI InChI=1S/C18H21NO2/c1-3-16(20)19-10-9-14-11-13-6-4-5-12-7-8-15(21-2)18(14)17(12)13/h4-8,14H,3,9-11H2,1-2H3,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Binding affinity for melatonin receptor type 1B, expressed in HEK-293 cells (2-[125I]-Iodomelatonin is used as radioligand)				J Med Chem 43: 4051-62 (2000) BindingDB Entry DOI: 10.7270/Q20Z72JX
					More data for this Ligand-Target Pair