Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401822'   

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))	BDBM401822 (2-{2-[(3R,6R)-1-{[5-fluoro-2-(2H-1,2,3- triazol-2-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-n1nccn1)n1ncc(n1)C(C)(C)O |r| Show InChI InChI=1S/C20H24FN7O2/c1-13-4-6-15(27-24-11-18(25-27)20(2,3)30)12-26(13)19(29)16-10-14(21)5-7-17(16)28-22-8-9-23-28/h5,7-11,13,15,30H,4,6,12H2,1-3H3/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	27.5	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))	BDBM401822 (2-{2-[(3R,6R)-1-{[5-fluoro-2-(2H-1,2,3- triazol-2-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1cc(F)ccc1-n1nccn1)n1ncc(n1)C(C)(C)O |r| Show InChI InChI=1S/C20H24FN7O2/c1-13-4-6-15(27-24-11-18(25-27)20(2,3)30)12-26(13)19(29)16-10-14(21)5-7-17(16)28-22-8-9-23-28/h5,7-11,13,15,30H,4,6,12H2,1-3H3/t13-,15-/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