Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401796'   

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 (Rattus norvegicus (Rat))	BDBM401796 ((2-(2,2-Difluoroethoxy)pyridin-3-yl)((2R,5R)-5-(4-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)F)n1ncc(n1)C(C)(C)O Show InChI InChI=1S/C19H25F2N5O3/c1-12-6-7-13(26-23-9-15(24-26)19(2,3)28)10-25(12)18(27)14-5-4-8-22-17(14)29-11-16(20)21/h4-5,8-9,12-13,16,28H,6-7,10-11H2,1-3H3/t12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				J Med Chem 52: 7142-56 (2009) BindingDB Entry DOI: 10.7270/Q2S75JPN
					More data for this Ligand-Target Pair
Orexin/Hypocretin receptor type 1 (Homo sapiens (Human))	BDBM401796 ((2-(2,2-Difluoroethoxy)pyridin-3-yl)((2R,5R)-5-(4-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cccnc1OCC(F)F)n1ncc(n1)C(C)(C)O Show InChI InChI=1S/C19H25F2N5O3/c1-12-6-7-13(26-23-9-15(24-26)19(2,3)28)10-25(12)18(27)14-5-4-8-22-17(14)29-11-16(20)21/h4-5,8-9,12-13,16,28H,6-7,10-11H2,1-3H3/t12-,13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester					Assay Description For intracellular calcium measurements, Chinese hamster ovary (CHO) cells expressing the rat orexin-1 receptor or the human orexin-2 receptor, are gr...				J Med Chem 52: 7142-56 (2009) BindingDB Entry DOI: 10.7270/Q2S75JPN
					More data for this Ligand-Target Pair