BDBM50125645 1-[4-((R)-6-Methoxy-indan-1-yl)-piperazin-1-yl]-2-methyl-propan-1-one::CHEMBL19374

SMILES: COc1ccc2CC[C@@H](N3CCN(CC3)C(=O)C(C)C)c2c1

InChI Key: InChIKey=LGEAAKLZEDQCKA-QGZVFWFLSA-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 = 50125645   

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))	BDBM50125645 (1-[4-((R)-6-Methoxy-indan-1-yl)-piperazin-1-yl]-2-...) Show SMILES COc1ccc2CC[C@@H](N3CCN(CC3)C(=O)C(C)C)c2c1 Show InChI InChI=1S/C18H26N2O2/c1-13(2)18(21)20-10-8-19(9-11-20)17-7-5-14-4-6-15(22-3)12-16(14)17/h4,6,12-13,17H,5,7-11H2,1-3H3/t17-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	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
Melatonin receptor (Homo sapiens (Human))	BDBM50125645 (1-[4-((R)-6-Methoxy-indan-1-yl)-piperazin-1-yl]-2-...) Show SMILES COc1ccc2CC[C@@H](N3CCN(CC3)C(=O)C(C)C)c2c1 Show InChI InChI=1S/C18H26N2O2/c1-13(2)18(21)20-10-8-19(9-11-20)17-7-5-14-4-6-15(22-3)12-16(14)17/h4,6,12-13,17H,5,7-11H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	116	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