Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401856'   

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))	BDBM401856 (2-{2-[(3R,6R)-1-{[4-Fluoro-2- (2H-1,2,3-triazol-2-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)n1nc(C)c(n1)C(C)(C)O |r| Show InChI InChI=1S/C21H26FN7O2/c1-13-5-7-16(28-25-14(2)19(26-28)21(3,4)31)12-27(13)20(30)17-8-6-15(22)11-18(17)29-23-9-10-24-29/h6,8-11,13,16,31H,5,7,12H2,1-4H3/t13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.2	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))	BDBM401856 (2-{2-[(3R,6R)-1-{[4-Fluoro-2- (2H-1,2,3-triazol-2-...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccc(F)cc1-n1nccn1)n1nc(C)c(n1)C(C)(C)O |r| Show InChI InChI=1S/C21H26FN7O2/c1-13-5-7-16(28-25-14(2)19(26-28)21(3,4)31)12-27(13)20(30)17-8-6-15(22)11-18(17)29-23-9-10-24-29/h6,8-11,13,16,31H,5,7,12H2,1-4H3/t13-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.29E+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