Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM50292952'   

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))	BDBM50292952 ((+/-)-2-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4...) Show SMILES COc1ccc2CCC(NC(=O)CN3CCc4cc(OC)c(OC)cc4C3Cc3ccc(OC)c(OC)c3)c2c1 Show InChI InChI=1S/C32H38N2O6/c1-36-23-9-7-21-8-10-26(24(21)17-23)33-32(35)19-34-13-12-22-16-30(39-4)31(40-5)18-25(22)27(34)14-20-6-11-28(37-2)29(15-20)38-3/h6-7,9,11,15-18,26-27H,8,10,12-14,19H2,1-5H3,(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM50292952 ((+/-)-2-(1-(3,4-dimethoxybenzyl)-6,7-dimethoxy-3,4...) Show SMILES COc1ccc2CCC(NC(=O)CN3CCc4cc(OC)c(OC)cc4C3Cc3ccc(OC)c(OC)c3)c2c1 Show InChI InChI=1S/C32H38N2O6/c1-36-23-9-7-21-8-10-26(24(21)17-23)33-32(35)19-34-13-12-22-16-30(39-4)31(40-5)18-25(22)27(34)14-20-6-11-28(37-2)29(15-20)38-3/h6-7,9,11,15-18,26-27H,8,10,12-14,19H2,1-5H3,(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	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) Article DOI: 10.1021/acs.jmedchem.5b00832 BindingDB Entry DOI: 10.7270/Q29C709W
					More data for this Ligand-Target Pair