Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401787'   

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))	BDBM401787 (((2R,5R)-5-(4-(2-Hydroxypropan-2- yl)-2H-1,2,3-tri...) Show SMILES CCCc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1ncc(n1)C(C)(C)O |r| Show InChI InChI=1S/C21H30N4O2/c1-5-8-16-9-6-7-10-18(16)20(26)24-14-17(12-11-15(24)2)25-22-13-19(23-25)21(3,4)27/h6-7,9-10,13,15,17,27H,5,8,11-12,14H2,1-4H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15.9	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))	BDBM401787 (((2R,5R)-5-(4-(2-Hydroxypropan-2- yl)-2H-1,2,3-tri...) Show SMILES CCCc1ccccc1C(=O)N1C[C@@H](CC[C@H]1C)n1ncc(n1)C(C)(C)O |r| Show InChI InChI=1S/C21H30N4O2/c1-5-8-16-9-6-7-10-18(16)20(26)24-14-17(12-11-15(24)2)25-22-13-19(23-25)21(3,4)27/h6-7,9-10,13,15,17,27H,5,8,11-12,14H2,1-4H3/t15-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.11E+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