Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50136713'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136713 ((+/-)-2-amino-1-(6,7-dimethoxy-3,4-dihydroisoquino...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(N)C(C)(C)C Show InChI InChI=1S/C17H26N2O3/c1-17(2,3)15(18)16(20)19-7-6-11-8-13(21-4)14(22-5)9-12(11)10-19/h8-9,15H,6-7,10,18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50136713 ((+/-)-2-amino-1-(6,7-dimethoxy-3,4-dihydroisoquino...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(N)C(C)(C)C Show InChI InChI=1S/C17H26N2O3/c1-17(2,3)15(18)16(20)19-7-6-11-8-13(21-4)14(22-5)9-12(11)10-19/h8-9,15H,6-7,10,18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	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