BDBM50292933 CHEMBL490082::N-cyclopropyl-2-(6,7-dimethoxy-1-(naphthalen-2-ylmethyl)-3,4-dihydroisoquinolin-2(1H)-yl)-2-phenylacetamide

SMILES: COc1cc2CCN(C(C(=O)NC3CC3)c3ccccc3)C(Cc3ccc4ccccc4c3)c2cc1OC

InChI Key: InChIKey=RWSZLMVCERHQGM-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 = 50292933   

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 1 (Homo sapiens (Human))	BDBM50292933 (CHEMBL490082 | N-cyclopropyl-2-(6,7-dimethoxy-1-(n...) Show SMILES COc1cc2CCN(C(C(=O)NC3CC3)c3ccccc3)C(Cc3ccc4ccccc4c3)c2cc1OC Show InChI InChI=1S/C33H34N2O3/c1-37-30-20-26-16-17-35(32(24-9-4-3-5-10-24)33(36)34-27-14-15-27)29(28(26)21-31(30)38-2)19-22-12-13-23-8-6-7-11-25(23)18-22/h3-13,18,20-21,27,29,32H,14-17,19H2,1-2H3,(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	37	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
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50292933 (CHEMBL490082 | N-cyclopropyl-2-(6,7-dimethoxy-1-(n...) Show SMILES COc1cc2CCN(C(C(=O)NC3CC3)c3ccccc3)C(Cc3ccc4ccccc4c3)c2cc1OC Show InChI InChI=1S/C33H34N2O3/c1-37-30-20-26-16-17-35(32(24-9-4-3-5-10-24)33(36)34-27-14-15-27)29(28(26)21-31(30)38-2)19-22-12-13-23-8-6-7-11-25(23)18-22/h3-13,18,20-21,27,29,32H,14-17,19H2,1-2H3,(H,34,36)	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	80	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))	BDBM50292933 (CHEMBL490082 | N-cyclopropyl-2-(6,7-dimethoxy-1-(n...) Show SMILES COc1cc2CCN(C(C(=O)NC3CC3)c3ccccc3)C(Cc3ccc4ccccc4c3)c2cc1OC Show InChI InChI=1S/C33H34N2O3/c1-37-30-20-26-16-17-35(32(24-9-4-3-5-10-24)33(36)34-27-14-15-27)29(28(26)21-31(30)38-2)19-22-12-13-23-8-6-7-11-25(23)18-22/h3-13,18,20-21,27,29,32H,14-17,19H2,1-2H3,(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	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 2 (Homo sapiens (Human))	BDBM50292933 (CHEMBL490082 | N-cyclopropyl-2-(6,7-dimethoxy-1-(n...) Show SMILES COc1cc2CCN(C(C(=O)NC3CC3)c3ccccc3)C(Cc3ccc4ccccc4c3)c2cc1OC Show InChI InChI=1S/C33H34N2O3/c1-37-30-20-26-16-17-35(32(24-9-4-3-5-10-24)33(36)34-27-14-15-27)29(28(26)21-31(30)38-2)19-22-12-13-23-8-6-7-11-25(23)18-22/h3-13,18,20-21,27,29,32H,14-17,19H2,1-2H3,(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	80	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