BDBM50155734 1-[1-(2,2-Diphenyl-ethyl)-6,8-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone::CHEMBL187136

SMILES: COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2c(OC)c1)C(C)=O

InChI Key: InChIKey=GDUUJQHYQZBCSG-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 = 50155734   

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))	BDBM50155734 (1-[1-(2,2-Diphenyl-ethyl)-6,8-dimethoxy-3,4-dihydr...) Show SMILES COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2c(OC)c1)C(C)=O Show InChI InChI=1S/C27H29NO3/c1-19(29)28-15-14-22-16-23(30-2)17-26(31-3)27(22)25(28)18-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16-17,24-25H,14-15,18H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against Melatonin receptor type 1B				Bioorg Med Chem Lett 14: 5881-4 (2004) Article DOI: 10.1016/j.bmcl.2004.09.024 BindingDB Entry DOI: 10.7270/Q2T72GX4
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50155734 (1-[1-(2,2-Diphenyl-ethyl)-6,8-dimethoxy-3,4-dihydr...) Show SMILES COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2c(OC)c1)C(C)=O Show InChI InChI=1S/C27H29NO3/c1-19(29)28-15-14-22-16-23(30-2)17-26(31-3)27(22)25(28)18-24(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16-17,24-25H,14-15,18H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 Inhibitory concentration against Melatonin receptor type 1A				Bioorg Med Chem Lett 14: 5881-4 (2004) Article DOI: 10.1016/j.bmcl.2004.09.024 BindingDB Entry DOI: 10.7270/Q2T72GX4
					More data for this Ligand-Target Pair