BDBM50093289 CHEMBL337024::N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-phenalen-1-yl)-ethyl]-propionamide

SMILES: CCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23

InChI Key: InChIKey=NSEAOKKQWABVSA-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 = 50093289   

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))	BDBM50093289 (CHEMBL337024 | N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-...) Show SMILES CCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23 Show InChI InChI=1S/C20H25NO3/c1-4-18(22)21-12-11-14-5-8-15-16(23-2)9-6-13-7-10-17(24-3)20(14)19(13)15/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0700	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))	BDBM50093289 (CHEMBL337024 | N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-...) Show SMILES CCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23 Show InChI InChI=1S/C20H25NO3/c1-4-18(22)21-12-11-14-5-8-15-16(23-2)9-6-13-7-10-17(24-3)20(14)19(13)15/h6-7,9-10,14H,4-5,8,11-12H2,1-3H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.550	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