Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401801'   

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))	BDBM401801 ((2-(2,2-Difluoroethoxy)phenyl)((2R,5R)-5-(4-(2-hyd...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OCC(F)F)n1ncc(n1)C(C)(C)O Show InChI InChI=1S/C20H26F2N4O3/c1-13-8-9-14(26-23-10-17(24-26)20(2,3)28)11-25(13)19(27)15-6-4-5-7-16(15)29-12-18(21)22/h4-7,10,13-14,18,28H,8-9,11-12H2,1-3H3/t13-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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))	BDBM401801 ((2-(2,2-Difluoroethoxy)phenyl)((2R,5R)-5-(4-(2-hyd...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OCC(F)F)n1ncc(n1)C(C)(C)O Show InChI InChI=1S/C20H26F2N4O3/c1-13-8-9-14(26-23-10-17(24-26)20(2,3)28)11-25(13)19(27)15-6-4-5-7-16(15)29-12-18(21)22/h4-7,10,13-14,18,28H,8-9,11-12H2,1-3H3/t13-,14-/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