Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401850'   

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))	BDBM401850 (2-{2-[(3R,6R)-1-{[2- (Difluoromethoxy)phenyl] carb...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)F)n1nc(C)c(n1)C(C)(C)O |r| Show InChI InChI=1S/C20H26F2N4O3/c1-12-9-10-14(26-23-13(2)17(24-26)20(3,4)28)11-25(12)18(27)15-7-5-6-8-16(15)29-19(21)22/h5-8,12,14,19,28H,9-11H2,1-4H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.60	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))	BDBM401850 (2-{2-[(3R,6R)-1-{[2- (Difluoromethoxy)phenyl] carb...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1OC(F)F)n1nc(C)c(n1)C(C)(C)O |r| Show InChI InChI=1S/C20H26F2N4O3/c1-12-9-10-14(26-23-13(2)17(24-26)20(3,4)28)11-25(12)18(27)15-7-5-6-8-16(15)29-19(21)22/h5-8,12,14,19,28H,9-11H2,1-4H3/t12-,14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.06E+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