BDBM50125638 1-[4-(6-Methoxy-indan-1-yl)-piperazin-1-yl]-ethanone::CHEMBL277429

SMILES: COc1ccc2CCC(N3CCN(CC3)C(C)=O)c2c1

InChI Key: InChIKey=WOABBQLFTADQCP-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 = 50125638   

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))	BDBM50125638 (1-[4-(6-Methoxy-indan-1-yl)-piperazin-1-yl]-ethano...) Show SMILES COc1ccc2CCC(N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C16H22N2O2/c1-12(19)17-7-9-18(10-8-17)16-6-4-13-3-5-14(20-2)11-15(13)16/h3,5,11,16H,4,6-10H2,1-2H3	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))	BDBM50125638 (1-[4-(6-Methoxy-indan-1-yl)-piperazin-1-yl]-ethano...) Show SMILES COc1ccc2CCC(N3CCN(CC3)C(C)=O)c2c1 Show InChI InChI=1S/C16H22N2O2/c1-12(19)17-7-9-18(10-8-17)16-6-4-13-3-5-14(20-2)11-15(13)16/h3,5,11,16H,4,6-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	44	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