BDBM50093287 CHEMBL131431::Cyclopropanecarboxylic acid (2-acenaphthen-1-yl-ethyl)-amide

SMILES: O=C(NCCC1Cc2cccc3cccc1c23)C1CC1

InChI Key: InChIKey=OYOURDQSRSUBBL-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 = 50093287   

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))	BDBM50093287 (CHEMBL131431 | Cyclopropanecarboxylic acid (2-acen...) Show SMILES O=C(NCCC1Cc2cccc3cccc1c23)C1CC1 Show InChI InChI=1S/C18H19NO/c20-18(13-7-8-13)19-10-9-14-11-15-5-1-3-12-4-2-6-16(14)17(12)15/h1-6,13-14H,7-11H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.48	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))	BDBM50093287 (CHEMBL131431 | Cyclopropanecarboxylic acid (2-acen...) Show SMILES O=C(NCCC1Cc2cccc3cccc1c23)C1CC1 Show InChI InChI=1S/C18H19NO/c20-18(13-7-8-13)19-10-9-14-11-15-5-1-3-12-4-2-6-16(14)17(12)15/h1-6,13-14H,7-11H2,(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16.2	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