BDBM50231296 CHEMBL316854

SMILES: COc1ccc2CCC(Cc2c1)NC(C)=O

InChI Key: InChIKey=YLSJLYYBVHQMEQ-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50231296   

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 (Gallus gallus-Chick)	BDBM50231296 (CHEMBL316854) Show SMILES COc1ccc2CCC(Cc2c1)NC(C)=O Show InChI InChI=1S/C13H17NO2/c1-9(15)14-12-5-3-10-4-6-13(16-2)8-11(10)7-12/h4,6,8,12H,3,5,7H2,1-2H3,(H,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	121	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity to compete for 2-[125I]iodomelatonin binding to chicken retinal membranes				J Med Chem 36: 2891-8 (1993) Article DOI: 10.1021/jm00072a008 BindingDB Entry DOI: 10.7270/Q2HT2RJK
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50231296 (CHEMBL316854) Show SMILES COc1ccc2CCC(Cc2c1)NC(C)=O Show InChI InChI=1S/C13H17NO2/c1-9(15)14-12-5-3-10-4-6-13(16-2)8-11(10)7-12/h4,6,8,12H,3,5,7H2,1-2H3,(H,14,15)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin stimulated calcium dependent dopamine release from the rabbit retina.				J Med Chem 36: 2891-8 (1993) Article DOI: 10.1021/jm00072a008 BindingDB Entry DOI: 10.7270/Q2HT2RJK
					More data for this Ligand-Target Pair