BDBM50292928 (+/-)-N-benzyl-2-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)acetamide::CHEMBL490489

SMILES: COc1ccc(CC2N(CC(=O)NCc3ccccc3)CCc3cc(OC)c(OC)cc23)cc1OC

InChI Key: InChIKey=FYSUZYYFUUADES-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 = 50292928   

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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50292928 ((+/-)-N-benzyl-2-(1-(3,4-dimethoxybenzyl)-6,7-dime...) Show SMILES COc1ccc(CC2N(CC(=O)NCc3ccccc3)CCc3cc(OC)c(OC)cc23)cc1OC Show InChI InChI=1S/C29H34N2O5/c1-33-25-11-10-21(15-26(25)34-2)14-24-23-17-28(36-4)27(35-3)16-22(23)12-13-31(24)19-29(32)30-18-20-8-6-5-7-9-20/h5-11,15-17,24H,12-14,18-19H2,1-4H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at OX2R (unknown origin)				J Med Chem 59: 504-30 (2016) BindingDB Entry DOI: 10.7270/Q29C709W
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50292928 ((+/-)-N-benzyl-2-(1-(3,4-dimethoxybenzyl)-6,7-dime...) Show SMILES COc1ccc(CC2N(CC(=O)NCc3ccccc3)CCc3cc(OC)c(OC)cc23)cc1OC Show InChI InChI=1S/C29H34N2O5/c1-33-25-11-10-21(15-26(25)34-2)14-24-23-17-28(36-4)27(35-3)16-22(23)12-13-31(24)19-29(32)30-18-20-8-6-5-7-9-20/h5-11,15-17,24H,12-14,18-19H2,1-4H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of OX2 receptor				J Med Chem 52: 891-903 (2009) Article DOI: 10.1021/jm801296d BindingDB Entry DOI: 10.7270/Q2TM7B3D
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50292928 ((+/-)-N-benzyl-2-(1-(3,4-dimethoxybenzyl)-6,7-dime...) Show SMILES COc1ccc(CC2N(CC(=O)NCc3ccccc3)CCc3cc(OC)c(OC)cc23)cc1OC Show InChI InChI=1S/C29H34N2O5/c1-33-25-11-10-21(15-26(25)34-2)14-24-23-17-28(36-4)27(35-3)16-22(23)12-13-31(24)19-29(32)30-18-20-8-6-5-7-9-20/h5-11,15-17,24H,12-14,18-19H2,1-4H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of OX1 receptor				J Med Chem 52: 891-903 (2009) Article DOI: 10.1021/jm801296d BindingDB Entry DOI: 10.7270/Q2TM7B3D
					More data for this Ligand-Target Pair
Orexin receptor type 1 (Homo sapiens (Human))	BDBM50292928 ((+/-)-N-benzyl-2-(1-(3,4-dimethoxybenzyl)-6,7-dime...) Show SMILES COc1ccc(CC2N(CC(=O)NCc3ccccc3)CCc3cc(OC)c(OC)cc23)cc1OC Show InChI InChI=1S/C29H34N2O5/c1-33-25-11-10-21(15-26(25)34-2)14-24-23-17-28(36-4)27(35-3)16-22(23)12-13-31(24)19-29(32)30-18-20-8-6-5-7-9-20/h5-11,15-17,24H,12-14,18-19H2,1-4H3,(H,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity at OX1R (unknown origin)				J Med Chem 59: 504-30 (2016) BindingDB Entry DOI: 10.7270/Q29C709W
					More data for this Ligand-Target Pair