Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401810'   

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))	BDBM401810 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-2-methyl...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1ncc(n1)[C@@H](O)C(F)(F)F Show InChI InChI=1S/C19H20F3N7O2/c1-12-6-7-13(28-25-10-15(26-28)17(30)19(20,21)22)11-27(12)18(31)14-4-2-3-5-16(14)29-23-8-9-24-29/h2-5,8-10,12-13,17,30H,6-7,11H2,1H3/t12-,13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17.9	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))	BDBM401810 ((2-(2H-1,2,3-triazol-2-yl)phenyl)((2R,5R)-2-methyl...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1-n1nccn1)n1ncc(n1)[C@@H](O)C(F)(F)F Show InChI InChI=1S/C19H20F3N7O2/c1-12-6-7-13(28-25-10-15(26-28)17(30)19(20,21)22)11-27(12)18(31)14-4-2-3-5-16(14)29-23-8-9-24-29/h2-5,8-10,12-13,17,30H,6-7,11H2,1H3/t12-,13-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	505	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