Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401784'   

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))	BDBM401784 (1-(2-((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)n1ncc(n1)C(C)(C)O Show InChI InChI=1S/C22H27N5O2/c1-15-8-9-16(27-24-12-19(25-27)21(2,3)29)13-26(15)20(28)17-6-4-5-7-18(17)22(14-23)10-11-22/h4-7,12,15-16,29H,8-11,13H2,1-3H3/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.8	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))	BDBM401784 (1-(2-((2R,5R)-5-(4-(2-Hydroxypropan-2-yl)-2H-1,2,3...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1ccccc1C1(CC1)C#N)n1ncc(n1)C(C)(C)O Show InChI InChI=1S/C22H27N5O2/c1-15-8-9-16(27-24-12-19(25-27)21(2,3)29)13-26(15)20(28)17-6-4-5-7-18(17)22(14-23)10-11-22/h4-7,12,15-16,29H,8-11,13H2,1-3H3/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.16E+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