BDBM50155730 1-[1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone::CHEMBL187525

SMILES: COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2cc1OC)C(C)=O

InChI Key: InChIKey=MYRDIKPCKNULKX-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50155730   

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))	BDBM50155730 (1-[1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydr...) Show SMILES COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2cc1OC)C(C)=O Show InChI InChI=1S/C27H29NO3/c1-19(29)28-15-14-22-16-26(30-2)27(31-3)18-24(22)25(28)17-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16,18,23,25H,14-15,17H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor MT2 expressed in NIH3T3 rat fibroblast cells				J Med Chem 48: 4049-60 (2005) Article DOI: 10.1021/jm048956y BindingDB Entry DOI: 10.7270/Q2319ZND
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50155730 (1-[1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydr...) Show SMILES COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2cc1OC)C(C)=O Show InChI InChI=1S/C27H29NO3/c1-19(29)28-15-14-22-16-26(30-2)27(31-3)18-24(22)25(28)17-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16,18,23,25H,14-15,17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Parma Curated by ChEMBL					Assay Description Inhibition of 2-[125I]iodomelatonin binding to human melatonin receptor type 1A (MT1) expressed in NIH3T3 rat fibroblast cells				J Med Chem 48: 4049-60 (2005) Article DOI: 10.1021/jm048956y BindingDB Entry DOI: 10.7270/Q2319ZND
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50155730 (1-[1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydr...) Show SMILES COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2cc1OC)C(C)=O Show InChI InChI=1S/C27H29NO3/c1-19(29)28-15-14-22-16-26(30-2)27(31-3)18-24(22)25(28)17-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16,18,23,25H,14-15,17H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	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))	BDBM50155730 (1-[1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydr...) Show SMILES COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2cc1OC)C(C)=O Show InChI InChI=1S/C27H29NO3/c1-19(29)28-15-14-22-16-26(30-2)27(31-3)18-24(22)25(28)17-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16,18,23,25H,14-15,17H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
The German University in Cairo Curated by ChEMBL					Assay Description Antagonist activity at MT2 receptor (unknown origin) assessed as cAMP accumulation				J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50155730 (1-[1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydr...) Show SMILES COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2cc1OC)C(C)=O Show InChI InChI=1S/C27H29NO3/c1-19(29)28-15-14-22-16-26(30-2)27(31-3)18-24(22)25(28)17-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16,18,23,25H,14-15,17H2,1-3H3	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
The German University in Cairo Curated by ChEMBL					Assay Description Antagonist activity at MT1 receptor (unknown origin) assessed as cAMP accumulation				J Med Chem 57: 3161-85 (2014) Article DOI: 10.1021/jm401343c BindingDB Entry DOI: 10.7270/Q218381K
					More data for this Ligand-Target Pair
Melatonin receptor (Homo sapiens (Human))	BDBM50155730 (1-[1-(2,2-Diphenyl-ethyl)-6,7-dimethoxy-3,4-dihydr...) Show SMILES COc1cc2CCN(C(CC(c3ccccc3)c3ccccc3)c2cc1OC)C(C)=O Show InChI InChI=1S/C27H29NO3/c1-19(29)28-15-14-22-16-26(30-2)27(31-3)18-24(22)25(28)17-23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,16,18,23,25H,14-15,17H2,1-3H3	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