BDBM50155723 1-(6,7-Dimethoxy-1-phenethyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone::CHEMBL187593

SMILES: COc1cc2CCN(C(CCc3ccccc3)c2cc1OC)C(C)=O

InChI Key: InChIKey=KZMBWEHNBRZOCJ-UHFFFAOYSA-N

Data: 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 4 hits for monomerid = 50155723   

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))	BDBM50155723 (1-(6,7-Dimethoxy-1-phenethyl-3,4-dihydro-1H-isoqui...) Show SMILES COc1cc2CCN(C(CCc3ccccc3)c2cc1OC)C(C)=O Show InChI InChI=1S/C21H25NO3/c1-15(23)22-12-11-17-13-20(24-2)21(25-3)14-18(17)19(22)10-9-16-7-5-4-6-8-16/h4-8,13-14,19H,9-12H2,1-3H3	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))	BDBM50155723 (1-(6,7-Dimethoxy-1-phenethyl-3,4-dihydro-1H-isoqui...) Show SMILES COc1cc2CCN(C(CCc3ccccc3)c2cc1OC)C(C)=O Show InChI InChI=1S/C21H25NO3/c1-15(23)22-12-11-17-13-20(24-2)21(25-3)14-18(17)19(22)10-9-16-7-5-4-6-8-16/h4-8,13-14,19H,9-12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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))	BDBM50155723 (1-(6,7-Dimethoxy-1-phenethyl-3,4-dihydro-1H-isoqui...) Show SMILES COc1cc2CCN(C(CCc3ccccc3)c2cc1OC)C(C)=O Show InChI InChI=1S/C21H25NO3/c1-15(23)22-12-11-17-13-20(24-2)21(25-3)14-18(17)19(22)10-9-16-7-5-4-6-8-16/h4-8,13-14,19H,9-12H2,1-3H3	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
Melatonin receptor (Homo sapiens (Human))	BDBM50155723 (1-(6,7-Dimethoxy-1-phenethyl-3,4-dihydro-1H-isoqui...) Show SMILES COc1cc2CCN(C(CCc3ccccc3)c2cc1OC)C(C)=O Show InChI InChI=1S/C21H25NO3/c1-15(23)22-12-11-17-13-20(24-2)21(25-3)14-18(17)19(22)10-9-16-7-5-4-6-8-16/h4-8,13-14,19H,9-12H2,1-3H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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