BDBM50125642 CHEMBL275205::Cyclopropyl-[4-(7-methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-piperazin-1-yl]-methanone

SMILES: COc1ccc2CCCC(N3CCN(CC3)C(=O)C3CC3)c2c1

InChI Key: InChIKey=JLZABXYKBSYAFM-UHFFFAOYSA-N

Data: 2 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 = 50125642   

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))	BDBM50125642 (CHEMBL275205 | Cyclopropyl-[4-(7-methoxy-1,2,3,4-t...) Show SMILES COc1ccc2CCCC(N3CCN(CC3)C(=O)C3CC3)c2c1 Show InChI InChI=1S/C19H26N2O2/c1-23-16-8-7-14-3-2-4-18(17(14)13-16)20-9-11-21(12-10-20)19(22)15-5-6-15/h7-8,13,15,18H,2-6,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT1 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50125642 (CHEMBL275205 | Cyclopropyl-[4-(7-methoxy-1,2,3,4-t...) Show SMILES COc1ccc2CCCC(N3CCN(CC3)C(=O)C3CC3)c2c1 Show InChI InChI=1S/C19H26N2O2/c1-23-16-8-7-14-3-2-4-18(17(14)13-16)20-9-11-21(12-10-20)19(22)15-5-6-15/h7-8,13,15,18H,2-6,9-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro receptor binding at MT2 (Melatonin) receptor.				Bioorg Med Chem Lett 13: 1199-202 (2003) BindingDB Entry DOI: 10.7270/Q2C24VTB
					More data for this Ligand-Target Pair