Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin receptor type 2' and Ligand = 'BDBM50136705'   

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 receptor type 2 (Homo sapiens (Human))	BDBM50136705 ((+/-)-N-(1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C27H28N2O4/c1-32-24-16-21-13-14-29(18-22(21)17-25(24)33-2)27(31)23(15-19-9-5-3-6-10-19)28-26(30)20-11-7-4-8-12-20/h3-12,16-17,23H,13-15,18H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	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 2 (Homo sapiens (Human))	BDBM50136705 ((+/-)-N-(1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2...) Show SMILES COc1cc2CCN(Cc2cc1OC)C(=O)C(Cc1ccccc1)NC(=O)c1ccccc1 Show InChI InChI=1S/C27H28N2O4/c1-32-24-16-21-13-14-29(18-22(21)17-25(24)33-2)27(31)23(15-19-9-5-3-6-10-19)28-26(30)20-11-7-4-8-12-20/h3-12,16-17,23H,13-15,18H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	900	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