Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Orexin/Hypocretin receptor type 1' and Ligand = 'BDBM401837'   

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))	BDBM401837 (2-{2-[(3R,6R)-6-methyl-1-{[2-methyl-6- (2H-1,2,3-t...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(C)cccc1-n1nccn1)n1ncc(n1)C(C)(C)O |r| Show InChI InChI=1S/C21H27N7O2/c1-14-6-5-7-17(28-22-10-11-23-28)19(14)20(29)26-13-16(9-8-15(26)2)27-24-12-18(25-27)21(3,4)30/h5-7,10-12,15-16,30H,8-9,13H2,1-4H3/t15-,16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.1	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))	BDBM401837 (2-{2-[(3R,6R)-6-methyl-1-{[2-methyl-6- (2H-1,2,3-t...) Show SMILES C[C@@H]1CC[C@H](CN1C(=O)c1c(C)cccc1-n1nccn1)n1ncc(n1)C(C)(C)O |r| Show InChI InChI=1S/C21H27N7O2/c1-14-6-5-7-17(28-22-10-11-23-28)19(14)20(29)26-13-16(9-8-15(26)2)27-24-12-18(25-27)21(3,4)30/h5-7,10-12,15-16,30H,8-9,13H2,1-4H3/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	1.81E+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