BDBM50093272 CHEMBL129890::N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-phenalen-1-yl)-ethyl]-butyramide

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

InChI Key: InChIKey=GBQSWEMPGGYIKG-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 = 50093272   

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))	BDBM50093272 (CHEMBL129890 | N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-...) Show SMILES CCCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23 Show InChI InChI=1S/C21H27NO3/c1-4-5-19(23)22-13-12-15-6-9-16-17(24-2)10-7-14-8-11-18(25-3)21(15)20(14)16/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0570	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))	BDBM50093272 (CHEMBL129890 | N-[2-(4,9-Dimethoxy-2,3-dihydro-1H-...) Show SMILES CCCC(=O)NCCC1CCc2c(OC)ccc3ccc(OC)c1c23 Show InChI InChI=1S/C21H27NO3/c1-4-5-19(23)22-13-12-15-6-9-16-17(24-2)10-7-14-8-11-18(25-3)21(15)20(14)16/h7-8,10-11,15H,4-6,9,12-13H2,1-3H3,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.190	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