Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401872'   

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))	BDBM401872 (2-{1-[(3R,6R)-6-Methyl-1-({2- [(trifluoromethyl)su...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1SC(F)(F)F)n1cc(cn1)C(C)(C)O |r| Show InChI InChI=1S/C20H24F3N3O2S/c1-13-8-9-15(26-11-14(10-24-26)19(2,3)28)12-25(13)18(27)16-6-4-5-7-17(16)29-20(21,22)23/h4-7,10-11,13,15,28H,8-9,12H2,1-3H3/t13-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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))	BDBM401872 (2-{1-[(3R,6R)-6-Methyl-1-({2- [(trifluoromethyl)su...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1SC(F)(F)F)n1cc(cn1)C(C)(C)O |r| Show InChI InChI=1S/C20H24F3N3O2S/c1-13-8-9-15(26-11-14(10-24-26)19(2,3)28)12-25(13)18(27)16-6-4-5-7-17(16)29-20(21,22)23/h4-7,10-11,13,15,28H,8-9,12H2,1-3H3/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	7.93E+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