BDBM50136717 (+/-)-2-(4-bromobenzyl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3,3-dimethylbutan-1-one::2-(4-Bromo-benzyl)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-butan-1-one::CHEMBL138101

SMILES: COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccc(Br)cc1)C(C)(C)C

InChI Key: InChIKey=UHAYOUSNUNIKHN-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 = 50136717   

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))	BDBM50136717 ((+/-)-2-(4-bromobenzyl)-1-(6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C24H30BrNO3/c1-24(2,3)20(12-16-6-8-19(25)9-7-16)23(27)26-11-10-17-13-21(28-4)22(29-5)14-18(17)15-26/h6-9,13-14,20H,10-12,15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-2 receptor (hOX2R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair
Orexin receptor type 2 (Homo sapiens (Human))	BDBM50136717 ((+/-)-2-(4-bromobenzyl)-1-(6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C24H30BrNO3/c1-24(2,3)20(12-16-6-8-19(25)9-7-16)23(27)26-11-10-17-13-21(28-4)22(29-5)14-18(17)15-26/h6-9,13-14,20H,10-12,15H2,1-5H3	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	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human 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))	BDBM50136717 ((+/-)-2-(4-bromobenzyl)-1-(6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C24H30BrNO3/c1-24(2,3)20(12-16-6-8-19(25)9-7-16)23(27)26-11-10-17-13-21(28-4)22(29-5)14-18(17)15-26/h6-9,13-14,20H,10-12,15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human 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))	BDBM50136717 ((+/-)-2-(4-bromobenzyl)-1-(6,7-dimethoxy-3,4-dihyd...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C24H30BrNO3/c1-24(2,3)20(12-16-6-8-19(25)9-7-16)23(27)26-11-10-17-13-21(28-4)22(29-5)14-18(17)15-26/h6-9,13-14,20H,10-12,15H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Banyu Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibitory concentration against human orexin-1 receptor (hOX1R)				Bioorg Med Chem Lett 13: 4497-9 (2003) BindingDB Entry DOI: 10.7270/Q20R9NT7
					More data for this Ligand-Target Pair